C918-0190 Screening compound: methyl 3-{[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}-2-thiophenecarboxylate

C918-0190 Screening compound: methyl 3-{[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}-2-thiophenecarboxylate
C918-0190 Screening compound: methyl 3-{[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0190
methyl 3-{[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}-2-thiophenecarboxylate

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

C918-0190

Molecular Formula

C18H12ClNO5S3 (C18 H12 ClNO5 S3)

Compound Name

methyl 3-{[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromen-2-yl)carbonyl]amino}-2-thiophenecarboxylate

IUPAC name

methyl 3-{7-chloro-55-dioxo-4H-5lambda6-thieno[32-c]thiochromene-2-amido}thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(c1cc(CS(c2c-3ccc(Cl)c2)(=O)=O)c3s1)=O)=O

InChI

InChI=1S/C18H12ClNO5S3/c1-25-18(22)16-12(4-5-26-16)20-17(21)13-6-9-8-28(23,24)14-7-10(19)2-3-11(14)15(9)27-13/h2-7H,8H2,1H3,(H,20,21)

InChI Key

XFBVGTNTXVEHRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.48

Polar Surface Area

74.017

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C918-0190 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C918-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0190?
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What is the minimum amount of C918-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0190
  • 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 C918-0190 available by request