C201-0292 Screening compound: methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate

C201-0292 Screening compound: methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
C201-0292 Screening compound: methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0292
methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)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

C201-0292

Molecular Formula

C26H18ClF4NO3S (C26 H18 ClF4 NO3 S)

Compound Name

methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate

IUPAC name

methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate

SMILES

COC(c(c(SCc(c(F)ccc1)c1Cl)nc1ccccc11)c1OCc1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C26H18ClF4NO3S/c1-34-25(33)22-23(35-13-15-6-4-7-16(12-15)26(29,30)31)17-8-2-3-11-21(17)32-24(22)36-14-18-19(27)9-5-10-20(18)28/h2-12H,13-14H2,1H3

InChI Key

VNOGZFIOVJVYOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.95

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

7.777

Distribution Coefficient, logD

7.777

Water Solubility, LogSw

-6.61

Polar Surface Area

37.004

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C201-0292 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 C201-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0292?
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What is the minimum amount of C201-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0292
  • 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 C201-0292 available by request