C712-0082 Screening compound: N-butyl-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0082 Screening compound: N-butyl-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0082 Screening compound: N-butyl-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0082
N-butyl-N,9-dimethyl-4H-thieno[3,2-c]chromene-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

C712-0082

Molecular Formula

C18H21NO2S (C18 H21 NO2 S)

Compound Name

N-butyl-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-butyl-N9-dimethyl-4H-thieno[32-c]chromene-2-carboxamide

SMILES

CCCCN(C)C(c1cc(COc2c-3c(C)ccc2)c3s1)=O

InChI

InChI=1S/C18H21NO2S/c1-4-5-9-19(3)18(20)15-10-13-11-21-14-8-6-7-12(2)16(14)17(13)22-15/h6-8,10H,4-5,9,11H2,1-3H3

InChI Key

GWDYMFZWOLHDQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

4.016

Water Solubility, LogSw

-4.04

Polar Surface Area

25.756

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C712-0082 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C712-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0082?
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What is the minimum amount of C712-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0082
  • 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 C712-0082 available by request