C660-0344 Screening compound: N~2~-cyclopentyl-3-methyl-4-oxo-N~2~-(2-thienylmethyl)-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide

C660-0344 Screening compound: N~2~-cyclopentyl-3-methyl-4-oxo-N~2~-(2-thienylmethyl)-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
C660-0344 Screening compound: N~2~-cyclopentyl-3-methyl-4-oxo-N~2~-(2-thienylmethyl)-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0344
N~2~-cyclopentyl-3-methyl-4-oxo-N~2~-(2-thienylmethyl)-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-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

C660-0344

Molecular Formula

C23H27N3O2S2 (C23 H27 N3 O2 S2)

Compound Name

N~2~-cyclopentyl-3-methyl-4-oxo-N~2~-(2-thienylmethyl)-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide

IUPAC name

N-cyclopentyl-4-methyl-2-oxo-N-[(thiophen-2-yl)methyl]-6-thia-18-diazatricyclo[7.5.0.0^{37}]tetradeca-3(7)48-triene-5-carboxamide

SMILES

Cc1c(C(N(Cc2cccs2)C2CCCC2)=O)sc(N=C2N3CCCCC2)c1C3=O

InChI

InChI=1S/C23H27N3O2S2/c1-15-19-21(24-18-11-3-2-6-12-25(18)22(19)27)30-20(15)23(28)26(16-8-4-5-9-16)14-17-10-7-13-29-17/h7,10,13,16H,2-6,8-9,11-12,14H2,1H3

InChI Key

BJQYOTJIXGZIPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.343

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.25

Polar Surface Area

43.191

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C660-0344 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C660-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0344?
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What is the minimum amount of C660-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0344
  • 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 C660-0344 available by request