C201-0380 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(hydroxymethyl)-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridine-3-carboxamide

C201-0380 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(hydroxymethyl)-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridine-3-carboxamide
C201-0380 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(hydroxymethyl)-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0380
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(hydroxymethyl)-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridine-3-carboxamide

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

C201-0380

Molecular Formula

C18H12ClF3N2O4 (C18 H12 ClF3 N2 O4)

Compound Name

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(hydroxymethyl)-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridine-3-carboxamide

IUPAC name

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(hydroxymethyl)-8-methyl-2-oxo-2H-pyrano[23-c]pyridine-3-carboxamide

SMILES

Cc1ncc(CO)c(C=C2C(Nc(cc3)c(C(F)(F)F)cc3Cl)=O)c1OC2=O

InChI

InChI=1S/C18H12ClF3N2O4/c1-8-15-11(9(7-25)6-23-8)5-12(17(27)28-15)16(26)24-14-3-2-10(19)4-13(14)18(20,21)22/h2-6,25H,7H2,1H3,(H,24,26)

InChI Key

RMJKAHAHDNNDMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.136

Water Solubility, LogSw

-3.63

Polar Surface Area

70.067

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C201-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0380?
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What is the minimum amount of C201-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0380
  • 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 C201-0380 available by request