C201-0253 Screening compound: 4-hydroxy-3-(methoxycarbonyl)-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)quinoline-7-carboxylic acid

C201-0253 Screening compound: 4-hydroxy-3-(methoxycarbonyl)-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)quinoline-7-carboxylic acid
C201-0253 Screening compound: 4-hydroxy-3-(methoxycarbonyl)-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)quinoline-7-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0253
4-hydroxy-3-(methoxycarbonyl)-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)quinoline-7-carboxylic acid

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

C201-0253

Molecular Formula

C23H22N2O6S (C23 H22 N2 O6 S)

Compound Name

4-hydroxy-3-(methoxycarbonyl)-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)quinoline-7-carboxylic acid

IUPAC name

4-hydroxy-3-(methoxycarbonyl)-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)quinoline-7-carboxylic acid

SMILES

COC(c(c(SCC(NCCCc1ccccc1)=O)nc1cc(C(O)=O)ccc11)c1O)=O

InChI

InChI=1S/C23H22N2O6S/c1-31-23(30)19-20(27)16-10-9-15(22(28)29)12-17(16)25-21(19)32-13-18(26)24-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,24,26)(H,25,27)(H,28,29)

InChI Key

GWFRNCQDGLKFNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.474

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-4.53

Polar Surface Area

97.803

Acid Dissociation Constant (pKa)

5.25

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C201-0253 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C201-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0253?
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What is the minimum amount of C201-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0253
  • 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 C201-0253 available by request