V004-8807 Screening compound: 1-{4-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one

V004-8807 Screening compound: 1-{4-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
V004-8807 Screening compound: 1-{4-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8807
1-{4-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-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

V004-8807

Molecular Formula

C25H21ClN6OS (C25 H21 ClN6 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc1cccs1)N(CC1)CCN1c1nc(cccc2)c2c2nnc(-c(cc3)ccc3Cl)n12

InChI

InChI=1S/C25H21ClN6OS/c26-18-9-7-17(8-10-18)23-28-29-24-20-5-1-2-6-21(20)27-25(32(23)24)31-13-11-30(12-14-31)22(33)16-19-4-3-15-34-19/h1-10,15H,11-14,16H2

InChI Key

MOOQDPPIVQSHPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19902347

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.733

Distribution Coefficient, logD

4.672

Water Solubility, LogSw

-5.09

Polar Surface Area

49.940

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V004-8807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8807?
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What is the minimum amount of V004-8807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8807
  • 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 V004-8807 available by request