V021-6128 Screening compound: 2-({4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}sulfonyl)benzonitrile

V021-6128 Screening compound: 2-({4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}sulfonyl)benzonitrile
V021-6128 Screening compound: 2-({4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6128
2-({4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-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

V021-6128

Molecular Formula

C28H25N7O2S (C28 H25 N7 O2 S)

Compound Name

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

IUPAC name

2-({4-[3-(4-methylphenyl)-[124]triazolo[43-c]quinazolin-5-yl]-14-diazepan-1-yl}sulfonyl)benzonitrile

SMILES

Cc(cc1)ccc1-c1nnc2n1c(N(CCC1)CCN1S(c(cccc1)c1C#N)(=O)=O)nc1c2cccc1

InChI

InChI=1S/C28H25N7O2S/c1-20-11-13-21(14-12-20)26-31-32-27-23-8-3-4-9-24(23)30-28(35(26)27)33-15-6-16-34(18-17-33)38(36,37)25-10-5-2-7-22(25)19-29/h2-5,7-14H,6,15-18H2,1H3

InChI Key

DBSIBEZPZPHGSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19902502

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.62

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

4.899

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.75

Polar Surface Area

81.899

Acid Dissociation Constant (pKa)

20.89

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V021-6128 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V021-6128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6128?
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What is the minimum amount of V021-6128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6128
  • 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 V021-6128 available by request