V025-4511 Screening compound: 4-({[5-benzyl-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide

V025-4511 Screening compound: 4-({[5-benzyl-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
V025-4511 Screening compound: 4-({[5-benzyl-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4511
4-({[5-benzyl-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)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

V025-4511

Molecular Formula

C30H25FN4O2S (C30 H25 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(c1ccc(CSc2nnc(Cc3ccccc3)n2-c(cccc2)c2F)cc1)=O

InChI

InChI=1S/C30H25FN4O2S/c1-37-25-17-15-24(16-18-25)32-29(36)23-13-11-22(12-14-23)20-38-30-34-33-28(19-21-7-3-2-4-8-21)35(30)27-10-6-5-9-26(27)31/h2-18H,19-20H2,1H3,(H,32,36)

InChI Key

QLAUYWNOHOYVTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785890

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

524.62

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

5.512

Distribution Coefficient, logD

5.512

Water Solubility, LogSw

-5.44

Polar Surface Area

56.023

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with V025-4511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4511?
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What is the minimum amount of V025-4511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4511
  • 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 V025-4511 available by request