Y070-0557 Screening compound: N-(1-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxo-2-phenylethyl)furan-2-carboxamide

Y070-0557 Screening compound: N-(1-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxo-2-phenylethyl)furan-2-carboxamide
Y070-0557 Screening compound: N-(1-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxo-2-phenylethyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0557
N-(1-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxo-2-phenylethyl)furan-2-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

Y070-0557

Molecular Formula

C20H14ClF3N2O3 (C20 H14 ClF3 N2 O3)

Compound Name

N-(1-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxo-2-phenylethyl)furan-2-carboxamide

IUPAC name

N-(1-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxo-2-phenylethyl)furan-2-carboxamide

SMILES

O=C(C(NC(c1ccco1)=O)Nc(cc(C(F)(F)F)cc1)c1Cl)c1ccccc1

InChI

InChI=1S/C20H14ClF3N2O3/c21-14-9-8-13(20(22,23)24)11-15(14)25-18(17(27)12-5-2-1-3-6-12)26-19(28)16-7-4-10-29-16/h1-11,18,25H,(H,26,28)/t18-/m1/s1

InChI Key

OIYPGACRDSLWOE-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00753907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

4.118

Water Solubility, LogSw

-4.48

Polar Surface Area

54.797

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

Y070-0557 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0557?
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What is the minimum amount of Y070-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0557
  • 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 Y070-0557 available by request