V025-2328 Screening compound: 4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide

V025-2328 Screening compound: 4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
V025-2328 Screening compound: 4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-2328
4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide

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

V025-2328

Molecular Formula

C27H27ClN4OS (C27 H27 ClN4 OS)

Compound Name

4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide

IUPAC name

4-({[4-benzyl-5-(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide

SMILES

CC(C)CNC(c1ccc(CSc2nnc(-c(cccc3)c3Cl)n2Cc2ccccc2)cc1)=O

InChI

InChI=1S/C27H27ClN4OS/c1-19(2)16-29-26(33)22-14-12-21(13-15-22)18-34-27-31-30-25(23-10-6-7-11-24(23)28)32(27)17-20-8-4-3-5-9-20/h3-15,19H,16-18H2,1-2H3,(H,29,33)

InChI Key

ZTEWHZNEVVJGLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785952

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.632

Distribution Coefficient, logD

5.632

Water Solubility, LogSw

-5.72

Polar Surface Area

48.654

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V025-2328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-2328?
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What is the minimum amount of V025-2328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-2328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-2328
  • 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 V025-2328 available by request