V029-3793 Screening compound: 2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide

V029-3793 Screening compound: 2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
V029-3793 Screening compound: 2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3793
2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)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

V029-3793

Molecular Formula

C25H24FN5OS (C25 H24 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(c1c(CSc2nnc(-c3cnccc3)n2-c(cc2)ccc2F)cccc1)=O

InChI

InChI=1S/C25H24FN5OS/c1-17(2)14-28-24(32)22-8-4-3-6-19(22)16-33-25-30-29-23(18-7-5-13-27-15-18)31(25)21-11-9-20(26)10-12-21/h3-13,15,17H,14,16H2,1-2H3,(H,28,32)

InChI Key

BHYMYAGGCJHXQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633028

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.56

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

4.549

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.19

Polar Surface Area

58.915

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V029-3793 in Drug Discovery

Included in Screening Libraries

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 V029-3793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3793?
Check Price and Availability of V029-3793, 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 V029-3793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3793
  • 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 V029-3793 available by request