C712-0217 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0217 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0217 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0217
N-[(2,5-dimethoxyphenyl)methyl]-9-methyl-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

C712-0217

Molecular Formula

C22H21NO4S (C22 H21 NO4 S)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-9-methyl-4H-thieno[32-c]chromene-2-carboxamide

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(NCc(cc(cc2)OC)c2OC)=O)s1

InChI

InChI=1S/C22H21NO4S/c1-13-5-4-6-18-20(13)21-15(12-27-18)10-19(28-21)22(24)23-11-14-9-16(25-2)7-8-17(14)26-3/h4-10H,11-12H2,1-3H3,(H,23,24)

InChI Key

YOJWWSKLXYSUSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.66

Polar Surface Area

48.943

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C712-0217 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 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 C712-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0217?
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What is the minimum amount of C712-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0217
  • 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 C712-0217 available by request