C760-0945 Screening compound: ETHYL 4-{4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-AMIDO}BENZOATE

C760-0945 Screening compound: ETHYL 4-{4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-AMIDO}BENZOATE
C760-0945 Screening compound: ETHYL 4-{4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-AMIDO}BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0945
ETHYL 4-{4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-AMIDO}BENZOATE

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

C760-0945

Molecular Formula

C19H21NO3S (C19 H21 NO3 S)

Compound Name

ETHYL 4-{4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-AMIDO}BENZOATE

IUPAC name

ethyl 4-{4H5H6H7H8H-cyclohepta[b]thiophene-3-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1csc2c1CCCCC2)=O)=O

InChI

InChI=1S/C19H21NO3S/c1-2-23-19(22)13-8-10-14(11-9-13)20-18(21)16-12-24-17-7-5-3-4-6-15(16)17/h8-12H,2-7H2,1H3,(H,20,21)

InChI Key

TZJMLJUPAFNRLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.127

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-4.84

Polar Surface Area

45.353

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C760-0945 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C760-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0945?
Check Price and Availability of C760-0945, 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 C760-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0945
  • 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 C760-0945 available by request