V025-8939 Screening compound: N-[(4-fluorophenyl)methyl]-4-({[4-(3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V025-8939 Screening compound: N-[(4-fluorophenyl)methyl]-4-({[4-(3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V025-8939 Screening compound: N-[(4-fluorophenyl)methyl]-4-({[4-(3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8939
N-[(4-fluorophenyl)methyl]-4-({[4-(3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)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

V025-8939

Molecular Formula

C29H24FN5OS (C29 H24 FN5 OS)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-4-({[4-(3-methylphenyl)-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

Cc1cccc(-n2c(SCc(cc3)ccc3C(NCc(cc3)ccc3F)=O)nnc2-c2cnccc2)c1

InChI

InChI=1S/C29H24FN5OS/c1-20-4-2-6-26(16-20)35-27(24-5-3-15-31-18-24)33-34-29(35)37-19-22-7-11-23(12-8-22)28(36)32-17-21-9-13-25(30)14-10-21/h2-16,18H,17,19H2,1H3,(H,32,36)

InChI Key

SPUSAEXKQZENKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782753

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.625

Distribution Coefficient, logD

4.621

Water Solubility, LogSw

-4.16

Polar Surface Area

58.644

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

References: we are preparing a list of scientific research reports with V025-8939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8939?
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What is the minimum amount of V025-8939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8939
  • 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 V025-8939 available by request