V004-0207 Screening compound: (2E)-N-(2-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-N-cyclohexyl-3-phenylprop-2-enamide

V004-0207 Screening compound: (2E)-N-(2-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-N-cyclohexyl-3-phenylprop-2-enamide
V004-0207 Screening compound: (2E)-N-(2-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-N-cyclohexyl-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0207
(2E)-N-(2-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-N-cyclohexyl-3-phenylprop-2-enamide

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

V004-0207

Molecular Formula

C26H27ClN4O2S (C26 H27 ClN4 O2 S)

Compound Name

(2E)-N-(2-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)-N-cyclohexyl-3-phenylprop-2-enamide

IUPAC name

(2E)-N-(2-{[5-(3-chlorophenyl)-134-thiadiazol-2-yl]carbamoyl}ethyl)-N-cyclohexyl-3-phenylprop-2-enamide

SMILES

O=C(CCN(C1CCCCC1)C(/C=C/c1ccccc1)=O)Nc1nnc(-c2cccc(Cl)c2)s1

InChI

InChI=1S/C26H27ClN4O2S/c27-21-11-7-10-20(18-21)25-29-30-26(34-25)28-23(32)16-17-31(22-12-5-2-6-13-22)24(33)15-14-19-8-3-1-4-9-19/h1,3-4,7-11,14-15,18,22H,2,5-6,12-13,16-17H2,(H,28,30,32)

InChI Key

HQUWGHGXIXHRLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10461932

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.365

Distribution Coefficient, logD

6.364

Water Solubility, LogSw

-6.39

Polar Surface Area

61.296

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V004-0207 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V004-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0207?
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What is the minimum amount of V004-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0207
  • 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 V004-0207 available by request