E975-1331 Screening compound: 2-{5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-sulfonyl}-1,2,3,4-tetrahydroisoquinoline

E975-1331 Screening compound: 2-{5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
E975-1331 Screening compound: 2-{5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-sulfonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-1331
2-{5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-sulfonyl}-1,2,3,4-tetrahydroisoquinoline

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

E975-1331

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

2-{5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-sulfonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{5H6H7H8H9H10H-cyclohepta[b]indole-2-sulfonyl}-1234-tetrahydroisoquinoline

SMILES

O=S(c(cc1)cc2c1[nH]c1c2CCCCC1)(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C22H24N2O2S/c25-27(26,24-13-12-16-6-4-5-7-17(16)15-24)18-10-11-22-20(14-18)19-8-2-1-3-9-21(19)23-22/h4-7,10-11,14,23H,1-3,8-9,12-13,15H2

InChI Key

RWVOZUGMAXYTST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.631

Distribution Coefficient, logD

4.631

Water Solubility, LogSw

-4.57

Polar Surface Area

42.713

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E975-1331 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E975-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-1331?
Check Price and Availability of E975-1331, 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 E975-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-1331
  • 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 E975-1331 available by request