C909-0413 Screening compound: ethyl 3-{[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}benzoate

C909-0413 Screening compound: ethyl 3-{[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}benzoate
C909-0413 Screening compound: ethyl 3-{[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0413
ethyl 3-{[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}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

C909-0413

Molecular Formula

C21H17NO5S2 (C21 H17 NO5 S2)

Compound Name

ethyl 3-{[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}benzoate

IUPAC name

ethyl 3-{55-dioxo-4H-5lambda6-thieno[32-c]thiochromene-2-amido}benzoate

SMILES

CCOC(c1cccc(NC(c2cc(CS(c3c-4cccc3)(=O)=O)c4s2)=O)c1)=O

InChI

InChI=1S/C21H17NO5S2/c1-2-27-21(24)13-6-5-7-15(10-13)22-20(23)17-11-14-12-29(25,26)18-9-4-3-8-16(18)19(14)28-17/h3-11H,2,12H2,1H3,(H,22,23)

InChI Key

BJRLJTDVTWRRTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.671

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-4.43

Polar Surface Area

73.276

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C909-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0413?
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What is the minimum amount of C909-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0413
  • 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 C909-0413 available by request