T001-0865 Screening compound: 2-chloro-N~1~-[3-(trifluoromethyl)benzyl]acetamide

T001-0865 Screening compound: 2-chloro-N~1~-[3-(trifluoromethyl)benzyl]acetamide
T001-0865 Screening compound: 2-chloro-N~1~-[3-(trifluoromethyl)benzyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T001-0865
2-chloro-N~1~-[3-(trifluoromethyl)benzyl]acetamide

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

T001-0865

Molecular Formula

C10H9ClF3NO (C10 H9 ClF3 NO)

Compound Name

2-chloro-N~1~-[3-(trifluoromethyl)benzyl]acetamide

IUPAC name

2-chloro-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

SMILES

O=C(CCl)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C10H9ClF3NO/c11-5-9(16)15-6-7-2-1-3-8(4-7)10(12,13)14/h1-4H,5-6H2,(H,15,16)

InChI Key

AFWJINGUGZLWCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09938871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.64

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-2.83

Polar Surface Area

24.710

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

T001-0865 in Drug Discovery

Included in Screening Libraries

Covalent Fragments Smart Library (839 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with T001-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T001-0865?
Check Price and Availability of T001-0865, 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 T001-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T001-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T001-0865
  • 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 T001-0865 available by request