C367-0102 Screening compound: 7-{[4-(4-chlorophenyl)piperazino]carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one

C367-0102 Screening compound: 7-{[4-(4-chlorophenyl)piperazino]carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
C367-0102 Screening compound: 7-{[4-(4-chlorophenyl)piperazino]carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C367-0102
7-{[4-(4-chlorophenyl)piperazino]carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-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

C367-0102

Molecular Formula

C25H23ClN4O2S (C25 H23 ClN4 O2 S)

Compound Name

7-{[4-(4-chlorophenyl)piperazino]carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one

IUPAC name

4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-17-thia-28-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)24611(16)-pentaen-9-one

SMILES

O=C(C1=CC=CN2C1=Nc(sc1c3CCCC1)c3C2=O)N(CC1)CCN1c(cc1)ccc1Cl

InChI

InChI=1S/C25H23ClN4O2S/c26-16-7-9-17(10-8-16)28-12-14-29(15-13-28)24(31)19-5-3-11-30-22(19)27-23-21(25(30)32)18-4-1-2-6-20(18)33-23/h3,5,7-11H,1-2,4,6,12-15H2

InChI Key

KWJUYNHKMLEBCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479

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

4.238

Distribution Coefficient, logD

4.238

Water Solubility, LogSw

-4.99

Polar Surface Area

44.237

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C367-0102 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C367-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C367-0102?
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What is the minimum amount of C367-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C367-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C367-0102
  • 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 C367-0102 available by request