V009-3629 Screening compound: 2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

V009-3629 Screening compound: 2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
V009-3629 Screening compound: 2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3629
2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

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

V009-3629

Molecular Formula

C21H23ClN4OS (C21 H23 ClN4 OS)

Compound Name

2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

IUPAC name

2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-NN-diethylacetamide

SMILES

CCN(CC)C(CSc1nnc(-c(cccc2)c2Cl)n1-c1ccc(C)cc1)=O

InChI

InChI=1S/C21H23ClN4OS/c1-4-25(5-2)19(27)14-28-21-24-23-20(17-8-6-7-9-18(17)22)26(21)16-12-10-15(3)11-13-16/h6-13H,4-5,14H2,1-3H3

InChI Key

CQDIUNHHFOYZKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844280

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

414.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.70

Polar Surface Area

40.389

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V009-3629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3629?
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What is the minimum amount of V009-3629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3629
  • 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 V009-3629 available by request