V001-1089 Screening compound: 3-(2-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole

V001-1089 Screening compound: 3-(2-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole
V001-1089 Screening compound: 3-(2-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-1089
3-(2-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-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

V001-1089

Molecular Formula

C23H20FN3OS (C23 H20 FN3 OS)

Compound Name

3-(2-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole

IUPAC name

3-(2-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-124-triazole

SMILES

Cc(cccc1)c1-n1c(SCc(cccc2)c2OC)nnc1-c(cccc1)c1F

InChI

InChI=1S/C23H20FN3OS/c1-16-9-3-7-13-20(16)27-22(18-11-5-6-12-19(18)24)25-26-23(27)29-15-17-10-4-8-14-21(17)28-2/h3-14H,15H2,1-2H3

InChI Key

FRFGRTZWIUAVAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843758

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.625

Distribution Coefficient, logD

5.625

Water Solubility, LogSw

-5.56

Polar Surface Area

32.042

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V001-1089 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V001-1089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-1089?
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What is the minimum amount of V001-1089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-1089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-1089
  • 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 V001-1089 available by request