C201-0363 Screening compound: methyl 2-(benzylsulfanyl)-4-{[2-methoxy-5-(methoxycarbonyl)phenyl]methoxy}quinoline-3-carboxylate

C201-0363 Screening compound: methyl 2-(benzylsulfanyl)-4-{[2-methoxy-5-(methoxycarbonyl)phenyl]methoxy}quinoline-3-carboxylate
C201-0363 Screening compound: methyl 2-(benzylsulfanyl)-4-{[2-methoxy-5-(methoxycarbonyl)phenyl]methoxy}quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0363
methyl 2-(benzylsulfanyl)-4-{[2-methoxy-5-(methoxycarbonyl)phenyl]methoxy}quinoline-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

C201-0363

Molecular Formula

C28H25NO6S (C28 H25 NO6 S)

Compound Name

methyl 2-(benzylsulfanyl)-4-{[2-methoxy-5-(methoxycarbonyl)phenyl]methoxy}quinoline-3-carboxylate

IUPAC name

methyl 2-(benzylsulfanyl)-4-{[2-methoxy-5-(methoxycarbonyl)phenyl]methoxy}quinoline-3-carboxylate

SMILES

COC(c(cc1)cc(COc2c(C(OC)=O)c(SCc3ccccc3)nc3ccccc23)c1OC)=O

InChI

InChI=1S/C28H25NO6S/c1-32-23-14-13-19(27(30)33-2)15-20(23)16-35-25-21-11-7-8-12-22(21)29-26(24(25)28(31)34-3)36-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3

InChI Key

RPVSFUIELGFQBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.943

Distribution Coefficient, logD

5.943

Water Solubility, LogSw

-5.87

Polar Surface Area

65.808

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C201-0363 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 C201-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0363?
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What is the minimum amount of C201-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0363
  • 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 C201-0363 available by request