C909-0327 Screening compound: ethyl 2-{[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}benzoate

C909-0327 Screening compound: ethyl 2-{[(5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}benzoate
C909-0327 Screening compound: ethyl 2-{[(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 C909-0327
ethyl 2-{[(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

C909-0327

Molecular Formula

C21H17NO5S2 (C21 H17 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(c1cc(CS(c2c-3cccc2)(=O)=O)c3s1)=O)=O

InChI

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

InChI Key

MEVRIKAOGIVKCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808087

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

4.356

Distribution Coefficient, logD

4.344

Water Solubility, LogSw

-4.25

Polar Surface Area

72.579

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C909-0327 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C909-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0327?
Check Price and Availability of C909-0327, 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 C909-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0327
  • 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 C909-0327 available by request