Y020-5271 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-4-chloro-3-oxobutanenitrile

Y020-5271 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-4-chloro-3-oxobutanenitrile
Y020-5271 Screening compound: 2-(1H-1,3-benzodiazol-2-yl)-4-chloro-3-oxobutanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5271
2-(1H-1,3-benzodiazol-2-yl)-4-chloro-3-oxobutanenitrile

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

Y020-5271

Molecular Formula

C11H8ClN3O (C11 H8 ClN3 O)

Compound Name

2-(1H-1,3-benzodiazol-2-yl)-4-chloro-3-oxobutanenitrile

IUPAC name

2-(1H-13-benzodiazol-2-yl)-4-chloro-3-oxobutanenitrile

SMILES

N#CC(C(CCl)=O)c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C11H8ClN3O/c12-5-10(16)7(6-13)11-14-8-3-1-2-4-9(8)15-11/h1-4,7H,5H2,(H,14,15)/t7-/m0/s1

InChI Key

ANPUKQWTWOKPNF-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD00228328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.374

Distribution Coefficient, logD

1.374

Water Solubility, LogSw

-1.86

Polar Surface Area

49.833

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.18

Y020-5271 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y020-5271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5271?
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What is the minimum amount of Y020-5271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5271
  • 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 Y020-5271 available by request