Y043-4418 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

Y043-4418 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
Y043-4418 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4418
N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)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

Y043-4418

Molecular Formula

C19H18N4O2 (C19 H18 N4 O2)

Compound Name

N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

IUPAC name

N-[(1S)-1-(1H-13-benzodiazol-2-yl)ethyl]-2-(3-oxo-23-dihydro-1H-isoindol-1-yl)acetamide

SMILES

CC(c1nc(cccc2)c2[nH]1)NC(CC(c1c2cccc1)NC2=O)=O

InChI

InChI=1S/C19H18N4O2/c1-11(18-21-14-8-4-5-9-15(14)22-18)20-17(24)10-16-12-6-2-3-7-13(12)19(25)23-16/h2-9,11,16H,10H2,1H3,(H,20,24)(H,21,22)(H,23,25)/t11-,16?/m0/s1

InChI Key

WDLPUPWAGRGHGW-CHPOKUKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.73

Polar Surface Area

68.954

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.05

Y043-4418 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CORONAVIRUS Library (20774 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y043-4418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4418?
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What is the minimum amount of Y043-4418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4418
  • 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 Y043-4418 available by request