V018-8812 Screening compound: 2-{[(2,6-dimethylphenyl)carbamoyl]amino}-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

V018-8812 Screening compound: 2-{[(2,6-dimethylphenyl)carbamoyl]amino}-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
V018-8812 Screening compound: 2-{[(2,6-dimethylphenyl)carbamoyl]amino}-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8812
2-{[(2,6-dimethylphenyl)carbamoyl]amino}-N-[5-(3-methylphenyl)-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

V018-8812

Molecular Formula

C27H27N5O2S (C27 H27 N5 O2 S)

Compound Name

2-{[(2,6-dimethylphenyl)carbamoyl]amino}-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

IUPAC name

2-{[(26-dimethylphenyl)carbamoyl]amino}-N-[5-(3-methylphenyl)-134-thiadiazol-2-yl]-3-phenylpropanamide

SMILES

Cc1cccc(-c2nnc(NC(C(Cc3ccccc3)NC(Nc3c(C)cccc3C)=O)=O)s2)c1

InChI

InChI=1S/C27H27N5O2S/c1-17-9-7-14-21(15-17)25-31-32-27(35-25)30-24(33)22(16-20-12-5-4-6-13-20)28-26(34)29-23-18(2)10-8-11-19(23)3/h4-15,22H,16H2,1-3H3,(H2,28,29,34)(H,30,32,33)/t22-/m0/s1

InChI Key

TZLDEFPBVUQSPI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD20006985

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.483

Distribution Coefficient, logD

5.483

Water Solubility, LogSw

-5.44

Polar Surface Area

78.463

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

V018-8812 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V018-8812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8812?
Check Price and Availability of V018-8812, 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 V018-8812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8812
  • 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 V018-8812 available by request