8014-7325 Screening compound: N~1~-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide

8014-7325 Screening compound: N~1~-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
8014-7325 Screening compound: N~1~-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7325
N~1~-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide

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

8014-7325

Molecular Formula

C29H25ClN4O2S3 (C29 H25 ClN4 O2 S3)

Compound Name

N~1~-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide

IUPAC name

N-{5-[(4-chlorophenyl)methyl]-13-thiazol-2-yl}-3-({3-oxo-4-phenyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}sulfanyl)propanamide

SMILES

O=C(CCSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O)Nc1ncc(Cc(cc2)ccc2Cl)s1

InChI

InChI=1S/C29H25ClN4O2S3/c30-19-12-10-18(11-13-19)16-21-17-31-28(38-21)32-24(35)14-15-37-29-33-26-25(22-8-4-5-9-23(22)39-26)27(36)34(29)20-6-2-1-3-7-20/h1-3,6-7,10-13,17H,4-5,8-9,14-16H2,(H,31,32,35)

InChI Key

IELGWTPPRJQSPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.048

Distribution Coefficient, logD

7.045

Water Solubility, LogSw

-6.67

Polar Surface Area

58.428

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.14

8014-7325 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8014-7325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7325?
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What is the minimum amount of 8014-7325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7325
  • 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 8014-7325 available by request