E975-1656 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

E975-1656 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
E975-1656 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-1656
N-{[4-(dimethylamino)phenyl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

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

E975-1656

Molecular Formula

C18H21N3O3S2 (C18 H21 N3 O3 S2)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CN(C)c1ccc(CNS(c(cc2)cc(N3)c2SCCC3=O)(=O)=O)cc1

InChI

InChI=1S/C18H21N3O3S2/c1-21(2)14-5-3-13(4-6-14)12-19-26(23,24)15-7-8-17-16(11-15)20-18(22)9-10-25-17/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,22)

InChI Key

IWULFEQQRLFTIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.485

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-3.02

Polar Surface Area

69.953

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E975-1656 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E975-1656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-1656?
Check Price and Availability of E975-1656, 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 E975-1656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-1656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-1656
  • 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 E975-1656 available by request