E975-1631 Screening compound: 7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

E975-1631 Screening compound: 7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
E975-1631 Screening compound: 7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-1631
7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-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

E975-1631

Molecular Formula

C21H24ClN3O4S2 (C21 H24 ClN3 O4 S2)

Compound Name

7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

7-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

O=C1Nc(cc(cc2)S(N3CCN(CCOc(cc4)ccc4Cl)CC3)(=O)=O)c2SCC1

InChI

InChI=1S/C21H24ClN3O4S2/c22-16-1-3-17(4-2-16)29-13-12-24-8-10-25(11-9-24)31(27,28)18-5-6-20-19(15-18)23-21(26)7-14-30-20/h1-6,15H,7-14H2,(H,23,26)

InChI Key

XQTSEBBZTRWBPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.62

Polar Surface Area

68.038

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E975-1631 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E975-1631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-1631?
Check Price and Availability of E975-1631, 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 E975-1631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-1631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-1631
  • 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 E975-1631 available by request