C200-3979 Screening compound: methyl 2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

C200-3979 Screening compound: methyl 2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
C200-3979 Screening compound: methyl 2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3979
methyl 2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

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

C200-3979

Molecular Formula

C21H20N2O4S (C21 H20 N2 O4 S)

Compound Name

methyl 2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

IUPAC name

methyl 2-({[(35-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-14-dihydroquinoline-3-carboxylate

SMILES

Cc1cc(NC(CSC(Nc2c3cccc2)=C(C(OC)=O)C3=O)=O)cc(C)c1

InChI

InChI=1S/C21H20N2O4S/c1-12-8-13(2)10-14(9-12)22-17(24)11-28-20-18(21(26)27-3)19(25)15-6-4-5-7-16(15)23-20/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)

InChI Key

GEZBDIQLZLPHFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-4.03

Polar Surface Area

67.864

Acid Dissociation Constant (pKa)

6.06

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C200-3979 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C200-3979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3979?
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What is the minimum amount of C200-3979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3979
  • 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 C200-3979 available by request