C593-1096 Screening compound: methyl 2-{8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-amido}benzoate

C593-1096 Screening compound: methyl 2-{8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-amido}benzoate
C593-1096 Screening compound: methyl 2-{8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1096
methyl 2-{8-methyl-4-oxo-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

C593-1096

Molecular Formula

C21H15NO5S (C21 H15 NO5 S)

Compound Name

methyl 2-{8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-amido}benzoate

IUPAC name

methyl 2-{8-methyl-4-oxo-4H-thieno[32-c]chromene-2-amido}benzoate

SMILES

Cc(cc1)cc(-c2c3cc(C(Nc(cccc4)c4C(OC)=O)=O)s2)c1OC3=O

InChI

InChI=1S/C21H15NO5S/c1-11-7-8-16-13(9-11)18-14(21(25)27-16)10-17(28-18)19(23)22-15-6-4-3-5-12(15)20(24)26-2/h3-10H,1-2H3,(H,22,23)

InChI Key

CFLIMZMKWFZLTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.604

Water Solubility, LogSw

-4.60

Polar Surface Area

65.474

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with C593-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1096?
Check Price and Availability of C593-1096, 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 C593-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1096
  • 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 C593-1096 available by request