C367-0084 Screening compound: 7-{[4-(2-pyrimidinyl)piperazino]carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one

C367-0084 Screening compound: 7-{[4-(2-pyrimidinyl)piperazino]carbonyl}-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
C367-0084 Screening compound: 7-{[4-(2-pyrimidinyl)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 C367-0084
7-{[4-(2-pyrimidinyl)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

C367-0084

Molecular Formula

C23H22N6O2S (C23 H22 N6 O2 S)

Compound Name

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

IUPAC name

4-[4-(pyrimidin-2-yl)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)CCN1c1ncccn1

InChI

InChI=1S/C23H22N6O2S/c30-21(27-11-13-28(14-12-27)23-24-8-4-9-25-23)16-6-3-10-29-19(16)26-20-18(22(29)31)15-5-1-2-7-17(15)32-20/h3-4,6,8-10H,1-2,5,7,11-14H2

InChI Key

AWWVVYPCEOPEIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.686

Distribution Coefficient, logD

2.686

Water Solubility, LogSw

-2.65

Polar Surface Area

62.599

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C367-0084 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 C367-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C367-0084?
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What is the minimum amount of C367-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C367-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C367-0084
  • 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 C367-0084 available by request