Y031-8322 Screening compound: N,N-bis[2-chloro-5-(trifluoromethyl)phenyl]isophthalamide

Y031-8322 Screening compound: N,N-bis[2-chloro-5-(trifluoromethyl)phenyl]isophthalamide
Y031-8322 Screening compound: N,N-bis[2-chloro-5-(trifluoromethyl)phenyl]isophthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8322
N,N-bis[2-chloro-5-(trifluoromethyl)phenyl]isophthalamide

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

Y031-8322

Molecular Formula

C22H12Cl2F6N2O2 (C22 H12 Cl2 F6 N2 O2)

Compound Name

N,N-bis[2-chloro-5-(trifluoromethyl)phenyl]isophthalamide

IUPAC name

N1N3-bis[2-chloro-5-(trifluoromethyl)phenyl]benzene-13-dicarboxamide

SMILES

O=C(c1cccc(C(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)c1)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C22H12Cl2F6N2O2/c23-15-6-4-13(21(25,26)27)9-17(15)31-19(33)11-2-1-3-12(8-11)20(34)32-18-10-14(22(28,29)30)5-7-16(18)24/h1-10H,(H,31,33)(H,32,34)

InChI Key

YWESSJYZTPJANT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00032551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.759

Distribution Coefficient, logD

5.341

Water Solubility, LogSw

-6.85

Polar Surface Area

45.025

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

Y031-8322 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y031-8322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8322?
Check Price and Availability of Y031-8322, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-8322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8322
  • 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 Y031-8322 available by request