V025-5777 Screening compound: 4-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-cyclopropylbenzamide

V025-5777 Screening compound: 4-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-cyclopropylbenzamide
V025-5777 Screening compound: 4-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5777
4-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-cyclopropylbenzamide

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

V025-5777

Molecular Formula

C27H26N4O2S (C27 H26 N4 O2 S)

Compound Name

4-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-cyclopropylbenzamide

IUPAC name

n/a

SMILES

COc(cc1)ccc1-n1c(SCc(cc2)ccc2C(NC2CC2)=O)nnc1Cc1ccccc1

InChI

InChI=1S/C27H26N4O2S/c1-33-24-15-13-23(14-16-24)31-25(17-19-5-3-2-4-6-19)29-30-27(31)34-18-20-7-9-21(10-8-20)26(32)28-22-11-12-22/h2-10,13-16,22H,11-12,17-18H2,1H3,(H,28,32)

InChI Key

YOUHLBXSIUOSLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.32

Polar Surface Area

57.702

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V025-5777 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V025-5777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5777?
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What is the minimum amount of V025-5777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5777
  • 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 V025-5777 available by request