C909-0367 Screening compound: N~2~-(2-methoxy-5-methylphenyl)-N~2~-methyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C909-0367 Screening compound: N~2~-(2-methoxy-5-methylphenyl)-N~2~-methyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C909-0367 Screening compound: N~2~-(2-methoxy-5-methylphenyl)-N~2~-methyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0367
N~2~-(2-methoxy-5-methylphenyl)-N~2~-methyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

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

C909-0367

Molecular Formula

C21H19NO4S2 (C21 H19 NO4 S2)

Compound Name

N~2~-(2-methoxy-5-methylphenyl)-N~2~-methyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-N-methyl-55-dioxo-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

Cc(cc1)cc(N(C)C(c2cc(CS(c3c-4cccc3)(=O)=O)c4s2)=O)c1OC

InChI

InChI=1S/C21H19NO4S2/c1-13-8-9-17(26-3)16(10-13)22(2)21(23)18-11-14-12-28(24,25)19-7-5-4-6-15(19)20(14)27-18/h4-11H,12H2,1-3H3

InChI Key

AEVWGINZCLCSOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.21

Polar Surface Area

52.130

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C909-0367 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 C909-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0367?
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What is the minimum amount of C909-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0367
  • 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 C909-0367 available by request