V022-6251 Screening compound: N-methyl-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide

V022-6251 Screening compound: N-methyl-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide
V022-6251 Screening compound: N-methyl-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6251
N-methyl-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide

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

V022-6251

Molecular Formula

C26H27N5OS (C26 H27 N5 OS)

Compound Name

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

IUPAC name

N-methyl-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide

SMILES

CCCN(C)C(c1ccc(CSc2nnc(-c3ccncc3)n2-c2c(C)cccc2)cc1)=O

InChI

InChI=1S/C26H27N5OS/c1-4-17-30(3)25(32)22-11-9-20(10-12-22)18-33-26-29-28-24(21-13-15-27-16-14-21)31(26)23-8-6-5-7-19(23)2/h5-16H,4,17-18H2,1-3H3

InChI Key

YGWHGENAJVPQIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19786945

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.951

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-3.81

Polar Surface Area

50.240

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V022-6251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6251?
Check Price and Availability of V022-6251, 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 V022-6251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6251
  • 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 V022-6251 available by request