Y080-0482 Screening compound: 4-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-ethylpyrrolidin-2-one

Y080-0482 Screening compound: 4-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-ethylpyrrolidin-2-one
Y080-0482 Screening compound: 4-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-ethylpyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0482
4-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-ethylpyrrolidin-2-one

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

Y080-0482

Molecular Formula

C20H20ClN3O (C20 H20 ClN3 O)

Compound Name

4-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-ethylpyrrolidin-2-one

IUPAC name

4-{1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}-1-ethylpyrrolidin-2-one

SMILES

CCN(CC(C1)c2nc(cccc3)c3n2Cc(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C20H20ClN3O/c1-2-23-13-15(11-19(23)25)20-22-17-5-3-4-6-18(17)24(20)12-14-7-9-16(21)10-8-14/h3-10,15H,2,11-13H2,1H3/t15-/m0/s1

InChI Key

XQDZFCWYXQAWOW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08899308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.920

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.24

Polar Surface Area

27.087

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

Y080-0482 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y080-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0482?
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What is the minimum amount of Y080-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0482
  • 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 Y080-0482 available by request