0968-0009 Screening compound: N'-(2-chloroacetyl)-2-hydroxy-N'-(2-methoxyphenyl)-2,2-bis[3-(trifluoromethyl)phenyl]acetohydrazide

0968-0009 Screening compound: N'-(2-chloroacetyl)-2-hydroxy-N'-(2-methoxyphenyl)-2,2-bis[3-(trifluoromethyl)phenyl]acetohydrazide
0968-0009 Screening compound: N'-(2-chloroacetyl)-2-hydroxy-N'-(2-methoxyphenyl)-2,2-bis[3-(trifluoromethyl)phenyl]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0968-0009
N'-(2-chloroacetyl)-2-hydroxy-N'-(2-methoxyphenyl)-2,2-bis[3-(trifluoromethyl)phenyl]acetohydrazide

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

0968-0009

Molecular Formula

C25H19ClF6N2O4 (C25 H19 ClF6 N2 O4)

Compound Name

N'-(2-chloroacetyl)-2-hydroxy-N'-(2-methoxyphenyl)-2,2-bis[3-(trifluoromethyl)phenyl]acetohydrazide

IUPAC name

N'-(2-chloroacetyl)-2-hydroxy-N'-(2-methoxyphenyl)-22-bis[3-(trifluoromethyl)phenyl]acetohydrazide

SMILES

COc(cccc1)c1N(C(CCl)=O)NC(C(c1cc(C(F)(F)F)ccc1)(c1cc(C(F)(F)F)ccc1)O)=O

InChI

InChI=1S/C25H19ClF6N2O4/c1-38-20-11-3-2-10-19(20)34(21(35)14-26)33-22(36)23(37,15-6-4-8-17(12-15)24(27,28)29)16-7-5-9-18(13-16)25(30,31)32/h2-13,37H,14H2,1H3,(H,33,36)

InChI Key

GOCALARGJXTAKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00317948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

2.952

Water Solubility, LogSw

-4.41

Polar Surface Area

61.362

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0968-0009 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0968-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0968-0009?
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What is the minimum amount of 0968-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0968-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0968-0009
  • 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 0968-0009 available by request