V021-3032 Screening compound: 1-{4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one

V021-3032 Screening compound: 1-{4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
V021-3032 Screening compound: 1-{4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3032
1-{4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one

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

V021-3032

Molecular Formula

C27H26N6OS (C27 H26 N6 OS)

Compound Name

1-{4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nnc2n1c(N(CCC1)CCN1C(Cc1cccs1)=O)nc1c2cccc1

InChI

InChI=1S/C27H26N6OS/c1-19-9-11-20(12-10-19)25-29-30-26-22-7-2-3-8-23(22)28-27(33(25)26)32-14-5-13-31(15-16-32)24(34)18-21-6-4-17-35-21/h2-4,6-12,17H,5,13-16,18H2,1H3

InChI Key

LSQVWZOXBARIRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19902196

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.830

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-4.79

Polar Surface Area

50.271

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V021-3032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3032?
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What is the minimum amount of V021-3032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3032
  • 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 V021-3032 available by request