C243-0131 Screening compound: 2-{[4-(3-chlorophenyl)piperazino]carbonyl}-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one

C243-0131 Screening compound: 2-{[4-(3-chlorophenyl)piperazino]carbonyl}-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
C243-0131 Screening compound: 2-{[4-(3-chlorophenyl)piperazino]carbonyl}-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C243-0131
2-{[4-(3-chlorophenyl)piperazino]carbonyl}-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-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

C243-0131

Molecular Formula

C21H17ClN4O2S (C21 H17 ClN4 O2 S)

Compound Name

2-{[4-(3-chlorophenyl)piperazino]carbonyl}-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaen-2-one

SMILES

O=C(c1cc(C(N(C=CC=C2)C2=N2)=O)c2s1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C21H17ClN4O2S/c22-14-4-3-5-15(12-14)24-8-10-25(11-9-24)21(28)17-13-16-19(29-17)23-18-6-1-2-7-26(18)20(16)27/h1-7,12-13H,8-11H2

InChI Key

YIFJYTZYFKNDAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.557

Distribution Coefficient, logD

3.557

Water Solubility, LogSw

-3.93

Polar Surface Area

45.295

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C243-0131 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C243-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C243-0131?
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What is the minimum amount of C243-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C243-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C243-0131
  • 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 C243-0131 available by request