V030-7612 Screening compound: 3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole

V030-7612 Screening compound: 3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole
V030-7612 Screening compound: 3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7612
3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-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

V030-7612

Molecular Formula

C20H16FN3OS (C20 H16 FN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n1c(SCc(cccc2)c2F)nnc1-c1ccco1

InChI

InChI=1S/C20H16FN3OS/c1-14-7-2-5-10-17(14)24-19(18-11-6-12-25-18)22-23-20(24)26-13-15-8-3-4-9-16(15)21/h2-12H,13H2,1H3

InChI Key

UQEZRORAGHMZQC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.985

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-4.66

Polar Surface Area

32.990

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with V030-7612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7612?
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What is the minimum amount of V030-7612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7612
  • 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 V030-7612 available by request