C918-0103 Screening compound: 7-chloro-N~2~-(5-chloro-2-methoxyphenyl)-N~2~-methyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C918-0103 Screening compound: 7-chloro-N~2~-(5-chloro-2-methoxyphenyl)-N~2~-methyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C918-0103 Screening compound: 7-chloro-N~2~-(5-chloro-2-methoxyphenyl)-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 C918-0103
7-chloro-N~2~-(5-chloro-2-methoxyphenyl)-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

C918-0103

Molecular Formula

C20H15Cl2NO4S2 (C20 H15 Cl2 NO4 S2)

Compound Name

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

IUPAC name

7-chloro-N-(5-chloro-2-methoxyphenyl)-N-methyl-55-dioxo-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

CN(C(c1cc(CS(c2c-3ccc(Cl)c2)(=O)=O)c3s1)=O)c(cc(cc1)Cl)c1OC

InChI

InChI=1S/C20H15Cl2NO4S2/c1-23(15-8-12(21)4-6-16(15)27-2)20(24)17-7-11-10-29(25,26)18-9-13(22)3-5-14(18)19(11)28-17/h3-9H,10H2,1-2H3

InChI Key

NTNPGVGWWYIXFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.38

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

4.762

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-4.85

Polar Surface Area

52.130

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C918-0103 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C918-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0103?
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What is the minimum amount of C918-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0103
  • 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 C918-0103 available by request