Y031-6954 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]tetrahydro-2-furancarboxamide

Y031-6954 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]tetrahydro-2-furancarboxamide
Y031-6954 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]tetrahydro-2-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6954
N-[2-chloro-5-(trifluoromethyl)phenyl]tetrahydro-2-furancarboxamide

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

Y031-6954

Molecular Formula

C12H11ClF3NO2 (C12 H11 ClF3 NO2)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]tetrahydro-2-furancarboxamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide

SMILES

O=C(C1OCCC1)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C12H11ClF3NO2/c13-8-4-3-7(12(14,15)16)6-9(8)17-11(18)10-2-1-5-19-10/h3-4,6,10H,1-2,5H2,(H,17,18)/t10-/m0/s1

InChI Key

XNDUZAPXOMKCRT-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01336576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

2.947

Water Solubility, LogSw

-3.45

Polar Surface Area

31.044

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

Y031-6954 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-6954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6954?
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What is the minimum amount of Y031-6954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6954
  • 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 Y031-6954 available by request