C201-0172 Screening compound: methyl 2-[(4-fluorobenzyl)sulfanyl]-4-{[3-(trifluoromethyl)benzyl]oxy}-3-quinolinecarboxylate

C201-0172 Screening compound: methyl 2-[(4-fluorobenzyl)sulfanyl]-4-{[3-(trifluoromethyl)benzyl]oxy}-3-quinolinecarboxylate
C201-0172 Screening compound: methyl 2-[(4-fluorobenzyl)sulfanyl]-4-{[3-(trifluoromethyl)benzyl]oxy}-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0172
methyl 2-[(4-fluorobenzyl)sulfanyl]-4-{[3-(trifluoromethyl)benzyl]oxy}-3-quinolinecarboxylate

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

C201-0172

Molecular Formula

C26H19F4NO3S (C26 H19 F4 NO3 S)

Compound Name

methyl 2-[(4-fluorobenzyl)sulfanyl]-4-{[3-(trifluoromethyl)benzyl]oxy}-3-quinolinecarboxylate

IUPAC name

methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate

SMILES

COC(c(c(SCc(cc1)ccc1F)nc1ccccc11)c1OCc1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C26H19F4NO3S/c1-33-25(32)22-23(34-14-17-5-4-6-18(13-17)26(28,29)30)20-7-2-3-8-21(20)31-24(22)35-15-16-9-11-19(27)12-10-16/h2-13H,14-15H2,1H3

InChI Key

APOZIJDUYOSEJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.779

Distribution Coefficient, logD

6.779

Water Solubility, LogSw

-6.15

Polar Surface Area

37.004

Acid Dissociation Constant (pKa)

25.30

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

C201-0172 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 C201-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0172?
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What is the minimum amount of C201-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0172
  • 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 C201-0172 available by request