V010-2230 Screening compound: methyl 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

V010-2230 Screening compound: methyl 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
V010-2230 Screening compound: methyl 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-2230
methyl 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

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

V010-2230

Molecular Formula

C16H13ClN4O2S (C16 H13 ClN4 O2 S)

Compound Name

methyl 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

COC(CSc1nnc(-c2cnccc2)n1-c1cccc(Cl)c1)=O

InChI

InChI=1S/C16H13ClN4O2S/c1-23-14(22)10-24-16-20-19-15(11-4-3-7-18-9-11)21(16)13-6-2-5-12(17)8-13/h2-9H,10H2,1H3

InChI Key

FXRFKQVEMKONFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856906

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

360.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.536

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-3.12

Polar Surface Area

55.081

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with V010-2230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-2230?
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What is the minimum amount of V010-2230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-2230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-2230
  • 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 V010-2230 available by request