C367-0069 Screening compound: N~7~-[4-(aminosulfonyl)phenethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide

C367-0069 Screening compound: N~7~-[4-(aminosulfonyl)phenethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide
C367-0069 Screening compound: N~7~-[4-(aminosulfonyl)phenethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C367-0069
N~7~-[4-(aminosulfonyl)phenethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide

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

C367-0069

Molecular Formula

C23H22N4O4S2 (C23 H22 N4 O4 S2)

Compound Name

N~7~-[4-(aminosulfonyl)phenethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide

IUPAC name

9-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-17-thia-28-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)24611(16)-pentaene-4-carboxamide

SMILES

NS(c1ccc(CCNC(C2=CC=CN3C2=Nc(sc2c4CCCC2)c4C3=O)=O)cc1)(=O)=O

InChI

InChI=1S/C23H22N4O4S2/c24-33(30,31)15-9-7-14(8-10-15)11-12-25-21(28)17-5-3-13-27-20(17)26-22-19(23(27)29)16-4-1-2-6-18(16)32-22/h3,5,7-10,13H,1-2,4,6,11-12H2,(H,25,28)(H2,24,30,31)

InChI Key

MUESGMYJRSDCCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.539

Distribution Coefficient, logD

1.539

Water Solubility, LogSw

-2.28

Polar Surface Area

99.186

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C367-0069 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer

References: we are preparing a list of scientific research reports with C367-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C367-0069?
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What is the minimum amount of C367-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C367-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C367-0069
  • 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 C367-0069 available by request