V021-6187 Screening compound: 2-({4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}sulfonyl)benzonitrile

V021-6187 Screening compound: 2-({4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}sulfonyl)benzonitrile
V021-6187 Screening compound: 2-({4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6187
2-({4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}sulfonyl)benzonitrile

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

V021-6187

Molecular Formula

C26H20ClN7O2S (C26 H20 ClN7 O2 S)

Compound Name

2-({4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}sulfonyl)benzonitrile

IUPAC name

2-({4-[3-(2-chlorophenyl)-[124]triazolo[43-c]quinazolin-5-yl]piperazin-1-yl}sulfonyl)benzonitrile

SMILES

N#Cc(cccc1)c1S(N(CC1)CCN1c1nc(cccc2)c2c2nnc(-c(cccc3)c3Cl)n12)(=O)=O

InChI

InChI=1S/C26H20ClN7O2S/c27-21-10-4-2-8-19(21)24-30-31-25-20-9-3-5-11-22(20)29-26(34(24)25)32-13-15-33(16-14-32)37(35,36)23-12-6-1-7-18(23)17-28/h1-12H,13-16H2

InChI Key

DVKWBYSBAIVREJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19924238

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.65

Polar Surface Area

81.568

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

V021-6187 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-6187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6187?
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What is the minimum amount of V021-6187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6187
  • 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 V021-6187 available by request