V008-9860 Screening compound: 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

V008-9860 Screening compound: 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
V008-9860 Screening compound: 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9860
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

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

V008-9860

Molecular Formula

C19H17ClFN3OS (C19 H17 ClFN3 OS)

Compound Name

3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

IUPAC name

3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

COc(cc1)ccc1-c(n1CC=C)nnc1SCc(c(F)ccc1)c1Cl

InChI

InChI=1S/C19H17ClFN3OS/c1-3-11-24-18(13-7-9-14(25-2)10-8-13)22-23-19(24)26-12-15-16(20)5-4-6-17(15)21/h3-10H,1,11-12H2,2H3

InChI Key

JWHAHCGVHPLQGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06158348

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.375

Distribution Coefficient, logD

5.375

Water Solubility, LogSw

-6.10

Polar Surface Area

31.763

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

V008-9860 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V008-9860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9860?
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What is the minimum amount of V008-9860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9860
  • 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 V008-9860 available by request