C918-0129 Screening compound: 7-chloro-5,5-dioxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C918-0129 Screening compound: 7-chloro-5,5-dioxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C918-0129 Screening compound: 7-chloro-5,5-dioxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0129
7-chloro-5,5-dioxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]-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

C918-0129

Molecular Formula

C19H19ClN2O4S2 (C19 H19 ClN2 O4 S2)

Compound Name

7-chloro-5,5-dioxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

7-chloro-55-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

O=C(c1cc(CS(c2c-3ccc(Cl)c2)(=O)=O)c3s1)NCCCN(CCC1)C1=O

InChI

InChI=1S/C19H19ClN2O4S2/c20-13-4-5-14-16(10-13)28(25,26)11-12-9-15(27-18(12)14)19(24)21-6-2-8-22-7-1-3-17(22)23/h4-5,9-10H,1-3,6-8,11H2,(H,21,24)

InChI Key

XJODEQTVPCWXBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.949

Distribution Coefficient, logD

1.949

Water Solubility, LogSw

-3.19

Polar Surface Area

71.199

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C918-0129 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C918-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0129?
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What is the minimum amount of C918-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0129
  • 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 C918-0129 available by request