V025-4477 Screening compound: 4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide

V025-4477 Screening compound: 4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
V025-4477 Screening compound: 4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4477
4-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide

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

V025-4477

Molecular Formula

C28H30N4OS (C28 H30 N4 OS)

Compound Name

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

IUPAC name

4-({[5-benzyl-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide

SMILES

CCCN(C)C(c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1)=O

InChI

InChI=1S/C28H30N4OS/c1-4-18-31(3)27(33)24-14-12-23(13-15-24)20-34-28-30-29-26(19-22-8-6-5-7-9-22)32(28)25-16-10-21(2)11-17-25/h5-17H,4,18-20H2,1-3H3

InChI Key

BXNLOLYYJACKDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785777

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.897

Water Solubility, LogSw

-4.65

Polar Surface Area

42.089

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V025-4477 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 V025-4477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4477?
Check Price and Availability of V025-4477, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V025-4477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4477
  • 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 V025-4477 available by request