V030-6922 Screening compound: (3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(1-pyrrolidinyl)methanone

V030-6922 Screening compound: (3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(1-pyrrolidinyl)methanone
V030-6922 Screening compound: (3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6922
(3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(1-pyrrolidinyl)methanone

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

V030-6922

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

(3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(1-pyrrolidinyl)methanone

IUPAC name

n/a

SMILES

Cc(n1Cc2ccccc2)nnc1SCc1cc(C(N2CCCC2)=O)ccc1

InChI

InChI=1S/C22H24N4OS/c1-17-23-24-22(26(17)15-18-8-3-2-4-9-18)28-16-19-10-7-11-20(14-19)21(27)25-12-5-6-13-25/h2-4,7-11,14H,5-6,12-13,15-16H2,1H3

InChI Key

NOJYWCNQGBCBQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27634021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.21

Polar Surface Area

42.032

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with V030-6922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6922?
Check Price and Availability of V030-6922, 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 V030-6922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6922
  • 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 V030-6922 available by request