V006-6692 Screening compound: 2-({[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V006-6692 Screening compound: 2-({[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V006-6692 Screening compound: 2-({[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6692
2-({[5-benzyl-4-(4-fluorophenyl)-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

V006-6692

Molecular Formula

C23H19FN4OS (C23 H19 FN4 OS)

Compound Name

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

IUPAC name

n/a

SMILES

NC(c1c(CSc2nnc(Cc3ccccc3)n2-c(cc2)ccc2F)cccc1)=O

InChI

InChI=1S/C23H19FN4OS/c24-18-10-12-19(13-11-18)28-21(14-16-6-2-1-3-7-16)26-27-23(28)30-15-17-8-4-5-9-20(17)22(25)29/h1-13H,14-15H2,(H2,25,29)

InChI Key

ATXALNRODXJUGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27499807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-4.29

Polar Surface Area

59.748

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

V006-6692 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 V006-6692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6692?
Check Price and Availability of V006-6692, 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 V006-6692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6692
  • 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 V006-6692 available by request