5750-3021 Screening compound: 6-(4-chlorophenyl)-6,6a-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one

5750-3021 Screening compound: 6-(4-chlorophenyl)-6,6a-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one
5750-3021 Screening compound: 6-(4-chlorophenyl)-6,6a-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-3021
6-(4-chlorophenyl)-6,6a-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-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

5750-3021

Molecular Formula

C22H14ClNOS (C22 H14 ClNOS)

Compound Name

6-(4-chlorophenyl)-6,6a-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one

IUPAC name

n/a

SMILES

O=C(C12)c(cccc3)c3C1=Nc(cccc1)c1SC2c(cc1)ccc1Cl

InChI

InChI=1S/C22H14ClNOS/c23-14-11-9-13(10-12-14)22-19-20(15-5-1-2-6-16(15)21(19)25)24-17-7-3-4-8-18(17)26-22/h1-12,19,22H

InChI Key

MIPUARQYLXBKLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00980384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.429

Distribution Coefficient, logD

5.415

Water Solubility, LogSw

-6.18

Polar Surface Area

20.982

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

3.00

5750-3021 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5750-3021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-3021?
Check Price and Availability of 5750-3021, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5750-3021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-3021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-3021
  • 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 5750-3021 available by request