C760-1039 Screening compound: N-[2-(azepan-1-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

C760-1039 Screening compound: N-[2-(azepan-1-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
C760-1039 Screening compound: N-[2-(azepan-1-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-1039
N-[2-(azepan-1-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

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

C760-1039

Molecular Formula

C18H28N2OS (C18 H28 N2 OS)

Compound Name

N-[2-(azepan-1-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

O=C(c1csc2c1CCCCC2)NCCN1CCCCCC1

InChI

InChI=1S/C18H28N2OS/c21-18(19-10-13-20-11-6-1-2-7-12-20)16-14-22-17-9-5-3-4-8-15(16)17/h14H,1-13H2,(H,19,21)

InChI Key

RHZLGOOCFCYTMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-4.00

Polar Surface Area

30.077

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.22

C760-1039 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C760-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-1039?
Check Price and Availability of C760-1039, 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 C760-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-1039
  • 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 C760-1039 available by request