V029-8309 Screening compound: 2-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide

V029-8309 Screening compound: 2-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
V029-8309 Screening compound: 2-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8309
2-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)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

V029-8309

Molecular Formula

C26H20FN5O2S (C26 H20 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(CSc2nnc(-c3ccncc3)n2-c(cccc2)c2F)cccc1)NCc1ccco1

InChI

InChI=1S/C26H20FN5O2S/c27-22-9-3-4-10-23(22)32-24(18-11-13-28-14-12-18)30-31-26(32)35-17-19-6-1-2-8-21(19)25(33)29-16-20-7-5-15-34-20/h1-15H,16-17H2,(H,29,33)

InChI Key

IRJXWCMEWBDZBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633588

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.871

Distribution Coefficient, logD

4.870

Water Solubility, LogSw

-4.72

Polar Surface Area

66.002

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

V029-8309 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V029-8309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8309?
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What is the minimum amount of V029-8309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8309
  • 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 V029-8309 available by request