C909-0468 Screening compound: ethyl 4-{[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}benzoate

C909-0468 Screening compound: ethyl 4-{[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}benzoate
C909-0468 Screening compound: ethyl 4-{[(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 C909-0468
ethyl 4-{[(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

C909-0468

Molecular Formula

C21H17NO5S2 (C21 H17 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(c1cc(CS(c2c-3cccc2)(=O)=O)c3s1)=O)=O

InChI

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

InChI Key

CARAKGCIIQQPLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808169

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

4.491

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.26

Polar Surface Area

73.276

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C909-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0468?
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What is the minimum amount of C909-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0468
  • 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 C909-0468 available by request