V018-1365 Screening compound: 2-[(adamantan-1-yl)formamido]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

V018-1365 Screening compound: 2-[(adamantan-1-yl)formamido]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
V018-1365 Screening compound: 2-[(adamantan-1-yl)formamido]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1365
2-[(adamantan-1-yl)formamido]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V018-1365

Molecular Formula

C29H32N4O3S (C29 H32 N4 O3 S)

Compound Name

2-[(adamantan-1-yl)formamido]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

IUPAC name

2-[(adamantan-1-yl)formamido]-N-[5-(3-methoxyphenyl)-134-thiadiazol-2-yl]-3-phenylpropanamide

SMILES

COc1cccc(-c2nnc(NC(C(Cc3ccccc3)NC(C3(CC(C4)C5)CC5CC4C3)=O)=O)s2)c1

InChI

InChI=1S/C29H32N4O3S/c1-36-23-9-5-8-22(14-23)26-32-33-28(37-26)31-25(34)24(13-18-6-3-2-4-7-18)30-27(35)29-15-19-10-20(16-29)12-21(11-19)17-29/h2-9,14,19-21,24H,10-13,15-17H2,1H3,(H,30,35)(H,31,33,34)/t19?,20?,21?,24-,29?/m0/s1

InChI Key

NSHBPFJFLCGWDN-DMDJSGQRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.594

Distribution Coefficient, logD

6.593

Water Solubility, LogSw

-5.75

Polar Surface Area

78.224

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

V018-1365 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antimitotic Tubulin Library (17355 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V018-1365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1365?
Check Price and Availability of V018-1365, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V018-1365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1365
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V018-1365 available by request