C712-0291 Screening compound: methyl 6-{9-methyl-4H-thieno[3,2-c]chromene-2-amido}-2H-1,3-benzodioxole-5-carboxylate

C712-0291 Screening compound: methyl 6-{9-methyl-4H-thieno[3,2-c]chromene-2-amido}-2H-1,3-benzodioxole-5-carboxylate
C712-0291 Screening compound: methyl 6-{9-methyl-4H-thieno[3,2-c]chromene-2-amido}-2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0291
methyl 6-{9-methyl-4H-thieno[3,2-c]chromene-2-amido}-2H-1,3-benzodioxole-5-carboxylate

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

C712-0291

Molecular Formula

C22H17NO6S (C22 H17 NO6 S)

Compound Name

methyl 6-{9-methyl-4H-thieno[3,2-c]chromene-2-amido}-2H-1,3-benzodioxole-5-carboxylate

IUPAC name

methyl 6-{9-methyl-4H-thieno[32-c]chromene-2-amido}-2H-13-benzodioxole-5-carboxylate

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(Nc(cc2OCOc2c2)c2C(OC)=O)=O)s1

InChI

InChI=1S/C22H17NO6S/c1-11-4-3-5-15-19(11)20-12(9-27-15)6-18(30-20)21(24)23-14-8-17-16(28-10-29-17)7-13(14)22(25)26-2/h3-8H,9-10H2,1-2H3,(H,23,24)

InChI Key

JTISKDVXTOAJDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.594

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.64

Polar Surface Area

70.038

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C712-0291 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 C712-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0291?
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What is the minimum amount of C712-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0291
  • 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 C712-0291 available by request