Z601-0535 Screening compound: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Z601-0535 Screening compound: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Z601-0535 Screening compound: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Z601-0535
5,6,7,8-tetrahydro-4H-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

Z601-0535

Molecular Formula

C10H13NOS (C10 H13 NOS)

Compound Name

5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

NC(c1csc2c1CCCCC2)=O

InChI

InChI=1S/C10H13NOS/c11-10(12)8-6-13-9-5-3-1-2-4-7(8)9/h6H,1-5H2,(H2,11,12)

InChI Key

JBEWACMFRMIACX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27639059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.324

Distribution Coefficient, logD

2.324

Water Solubility, LogSw

-2.27

Polar Surface Area

35.567

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Z601-0535 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Z601-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z601-0535?
Check Price and Availability of Z601-0535, 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 Z601-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z601-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z601-0535
  • 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 Z601-0535 available by request