3807-1489 Screening compound: 1-benzoyl-3-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}thiourea

3807-1489 Screening compound: 1-benzoyl-3-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}thiourea
3807-1489 Screening compound: 1-benzoyl-3-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-1489
1-benzoyl-3-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}thiourea

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

3807-1489

Molecular Formula

C16H13N3OS2 (C16 H13 N3 OS2)

Compound Name

1-benzoyl-3-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}thiourea

IUPAC name

1-benzoyl-3-{3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}thiourea

SMILES

N#Cc1c(NC(NC(c2ccccc2)=O)=S)sc2c1CCC2

InChI

InChI=1S/C16H13N3OS2/c17-9-12-11-7-4-8-13(11)22-15(12)19-16(21)18-14(20)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2,(H2,18,19,20,21)

InChI Key

OMXAWDLXQJAZRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

2.747

Water Solubility, LogSw

-4.07

Polar Surface Area

50.377

Acid Dissociation Constant (pKa)

6.60

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

3807-1489 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3807-1489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-1489?
Check Price and Availability of 3807-1489, 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 3807-1489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-1489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-1489
  • 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 3807-1489 available by request