C712-0052 Screening compound: methyl 2-{9-methyl-4H-thieno[3,2-c]chromene-2-amido}benzoate

C712-0052 Screening compound: methyl 2-{9-methyl-4H-thieno[3,2-c]chromene-2-amido}benzoate
C712-0052 Screening compound: methyl 2-{9-methyl-4H-thieno[3,2-c]chromene-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0052
methyl 2-{9-methyl-4H-thieno[3,2-c]chromene-2-amido}benzoate

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

C712-0052

Molecular Formula

C21H17NO4S (C21 H17 NO4 S)

Compound Name

methyl 2-{9-methyl-4H-thieno[3,2-c]chromene-2-amido}benzoate

IUPAC name

methyl 2-{9-methyl-4H-thieno[32-c]chromene-2-amido}benzoate

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(Nc(cccc2)c2C(OC)=O)=O)s1

InChI

InChI=1S/C21H17NO4S/c1-12-6-5-9-16-18(12)19-13(11-26-16)10-17(27-19)20(23)22-15-8-4-3-7-14(15)21(24)25-2/h3-10H,11H2,1-2H3,(H,22,23)

InChI Key

PETHXJTUHXXUQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.71

Polar Surface Area

52.922

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C712-0052 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C712-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0052?
Check Price and Availability of C712-0052, 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 C712-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0052
  • 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 C712-0052 available by request