5531-8251 Screening compound: 2-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

5531-8251 Screening compound: 2-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
5531-8251 Screening compound: 2-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5531-8251
2-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-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

5531-8251

Molecular Formula

C15H12ClNOS (C15 H12 ClNOS)

Compound Name

2-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

2-(2-chlorophenyl)-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

O=C(C1)Nc(cccc2)c2SC1c(cccc1)c1Cl

InChI

InChI=1S/C15H12ClNOS/c16-11-6-2-1-5-10(11)14-9-15(18)17-12-7-3-4-8-13(12)19-14/h1-8,14H,9H2,(H,17,18)/t14-/m0/s1

InChI Key

BSAMUXGUUZNQGJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00174623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-3.94

Polar Surface Area

25.119

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

5531-8251 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5531-8251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5531-8251?
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What is the minimum amount of 5531-8251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5531-8251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5531-8251
  • 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 5531-8251 available by request