C660-0271 Screening compound: N-butyl-4H-thieno[3,2-c]thiochromene-2-carboxamide

C660-0271 Screening compound: N-butyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
C660-0271 Screening compound: N-butyl-4H-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0271
N-butyl-4H-thieno[3,2-c]thiochromene-2-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

C660-0271

Molecular Formula

C16H17NOS2 (C16 H17 NOS2)

Compound Name

N-butyl-4H-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

N-butyl-4H-thieno[32-c]thiochromene-2-carboxamide

SMILES

CCCCNC(c1cc(CSc2c-3cccc2)c3s1)=O

InChI

InChI=1S/C16H17NOS2/c1-2-3-8-17-16(18)14-9-11-10-19-13-7-5-4-6-12(13)15(11)20-14/h4-7,9H,2-3,8,10H2,1H3,(H,17,18)

InChI Key

CSLVNCZQQHBTRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.309

Water Solubility, LogSw

-4.19

Polar Surface Area

25.432

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C660-0271 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C660-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0271?
Check Price and Availability of C660-0271, 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 C660-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0271
  • 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 C660-0271 available by request