V010-8554 Screening compound: N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

V010-8554 Screening compound: N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
V010-8554 Screening compound: N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-8554
N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

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

V010-8554

Molecular Formula

C22H21N3O2S2 (C22 H21 N3 O2 S2)

Compound Name

N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

IUPAC name

(2R)-N-(5-{[2-(24-dimethylphenyl)-2-oxoethyl]sulfanyl}-134-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

SMILES

Cc(cc1)cc(C)c1C(CSc1nnc(NC(C(C2)C2c2ccccc2)=O)s1)=O

InChI

InChI=1S/C22H21N3O2S2/c1-13-8-9-16(14(2)10-13)19(26)12-28-22-25-24-21(29-22)23-20(27)18-11-17(18)15-6-4-3-5-7-15/h3-10,17-18H,11-12H2,1-2H3,(H,23,24,27)/t17-,18?/m0/s1

InChI Key

GAYMFCHEAKUYJA-ZENAZSQFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.826

Distribution Coefficient, logD

5.777

Water Solubility, LogSw

-5.44

Polar Surface Area

59.463

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

V010-8554 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with V010-8554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8554?
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What is the minimum amount of V010-8554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8554
  • 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 V010-8554 available by request