Y020-9916 Screening compound: 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

Y020-9916 Screening compound: 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Y020-9916 Screening compound: 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9916
2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]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

Y020-9916

Molecular Formula

C15H15ClF3N3O3 (C15 H15 ClF3 N3 O3)

Compound Name

2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CC(C(NCC1)=O)N1C(CCl)=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C15H15ClF3N3O3/c16-8-13(24)22-5-4-20-14(25)11(22)7-12(23)21-10-3-1-2-9(6-10)15(17,18)19/h1-3,6,11H,4-5,7-8H2,(H,20,25)(H,21,23)/t11-/m0/s1

InChI Key

GIFXSYKJAQACDV-NSHDSACASA-N

MDL Number (MFCD)

MFCD19103590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.315

Distribution Coefficient, logD

1.313

Water Solubility, LogSw

-2.02

Polar Surface Area

64.059

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y020-9916 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 Y020-9916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9916?
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What is the minimum amount of Y020-9916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9916
  • 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 Y020-9916 available by request