C201-0163 Screening compound: methyl 7-chloro-2-({[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-hydroxyquinoline-3-carboxylate

C201-0163 Screening compound: methyl 7-chloro-2-({[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-hydroxyquinoline-3-carboxylate
C201-0163 Screening compound: methyl 7-chloro-2-({[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-hydroxyquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0163
methyl 7-chloro-2-({[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-hydroxyquinoline-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

C201-0163

Molecular Formula

C20H16Cl2N2O5S (C20 H16 Cl2 N2 O5 S)

Compound Name

methyl 7-chloro-2-({[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-hydroxyquinoline-3-carboxylate

IUPAC name

methyl 7-chloro-2-({[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-hydroxyquinoline-3-carboxylate

SMILES

COC(c(c(SCC(Nc(cc1)cc(Cl)c1OC)=O)nc1cc(Cl)ccc11)c1O)=O

InChI

InChI=1S/C20H16Cl2N2O5S/c1-28-15-6-4-11(8-13(15)22)23-16(25)9-30-19-17(20(27)29-2)18(26)12-5-3-10(21)7-14(12)24-19/h3-8H,9H2,1-2H3,(H,23,25)(H,24,26)

InChI Key

NTBAJBSDCATXQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.264

Water Solubility, LogSw

-5.67

Polar Surface Area

75.862

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C201-0163 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C201-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0163?
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What is the minimum amount of C201-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0163
  • 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 C201-0163 available by request