V002-1101 Screening compound: N-butyl-N-(2-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)decanamide

V002-1101 Screening compound: N-butyl-N-(2-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)decanamide
V002-1101 Screening compound: N-butyl-N-(2-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)decanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1101
N-butyl-N-(2-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)decanamide

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

V002-1101

Molecular Formula

C26H40N4O2S (C26 H40 N4 O2 S)

Compound Name

N-butyl-N-(2-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)decanamide

IUPAC name

N-butyl-N-(2-{[5-(4-methylphenyl)-134-thiadiazol-2-yl]carbamoyl}ethyl)decanamide

SMILES

CCCCCCCCCC(N(CCCC)CCC(Nc1nnc(-c2ccc(C)cc2)s1)=O)=O

InChI

InChI=1S/C26H40N4O2S/c1-4-6-8-9-10-11-12-13-24(32)30(19-7-5-2)20-18-23(31)27-26-29-28-25(33-26)22-16-14-21(3)15-17-22/h14-17H,4-13,18-20H2,1-3H3,(H,27,29,31)

InChI Key

DRVBNHNEBFJVPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19762649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.271

Distribution Coefficient, logD

7.271

Water Solubility, LogSw

-5.57

Polar Surface Area

62.573

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

V002-1101 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V002-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1101?
Check Price and Availability of V002-1101, 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 V002-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1101
  • 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 V002-1101 available by request