V012-1652 Screening compound: 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

V012-1652 Screening compound: 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
V012-1652 Screening compound: 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1652
2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

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

V012-1652

Molecular Formula

C22H18ClN3O3S (C22 H18 ClN3 O3 S)

Compound Name

2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

IUPAC name

2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-124-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

SMILES

Cc(ccc(Cl)c1)c1-n1c(SCC(c(cc2)ccc2OC)=O)nnc1-c1ccco1

InChI

InChI=1S/C22H18ClN3O3S/c1-14-5-8-16(23)12-18(14)26-21(20-4-3-11-29-20)24-25-22(26)30-13-19(27)15-6-9-17(28-2)10-7-15/h3-12H,13H2,1-2H3

InChI Key

OQGUZDRLANSCCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844330

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.904

Distribution Coefficient, logD

4.904

Water Solubility, LogSw

-5.00

Polar Surface Area

53.781

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with V012-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1652?
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What is the minimum amount of V012-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1652
  • 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 V012-1652 available by request