C760-1076 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

C760-1076 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
C760-1076 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-1076
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-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

C760-1076

Molecular Formula

C23H30ClN3OS (C23 H30 ClN3 OS)

Compound Name

N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CCNC(c2csc3c2CCCCC3)=O)CC1

InChI

InChI=1S/C23H30ClN3OS/c1-17-7-8-18(24)15-21(17)27-13-11-26(12-14-27)10-9-25-23(28)20-16-29-22-6-4-2-3-5-19(20)22/h7-8,15-16H,2-6,9-14H2,1H3,(H,25,28)

InChI Key

WGOPCGUBDDNCQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

5.461

Water Solubility, LogSw

-5.71

Polar Surface Area

32.705

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C760-1076 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C760-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-1076?
Check Price and Availability of C760-1076, 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 C760-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-1076
  • 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 C760-1076 available by request