V014-8346 Screening compound: 1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)piperazine

V014-8346 Screening compound: 1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)piperazine
V014-8346 Screening compound: 1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8346
1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)piperazine

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

V014-8346

Molecular Formula

C25H21ClN6OS (C25 H21 ClN6 OS)

Compound Name

1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)piperazine

IUPAC name

1-[8-chloro-3-(3-methylphenyl)-[124]triazolo[43-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)piperazine

SMILES

Cc1cccc(-c2nnc3n2c(N(CC2)CCN2C(c2cccs2)=O)nc2c3ccc(Cl)c2)c1

InChI

InChI=1S/C25H21ClN6OS/c1-16-4-2-5-17(14-16)22-28-29-23-19-8-7-18(26)15-20(19)27-25(32(22)23)31-11-9-30(10-12-31)24(33)21-6-3-13-34-21/h2-8,13-15H,9-12H2,1H3

InChI Key

RBLDFVVRJIRYMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923328

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.719

Distribution Coefficient, logD

5.438

Water Solubility, LogSw

-6.05

Polar Surface Area

50.468

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V014-8346 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 V014-8346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8346?
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What is the minimum amount of V014-8346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8346
  • 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 V014-8346 available by request