Y080-0833 Screening compound: 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-1H-1,3-benzodiazol-1-yl]-N,N-diethylacetamide

Y080-0833 Screening compound: 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-1H-1,3-benzodiazol-1-yl]-N,N-diethylacetamide
Y080-0833 Screening compound: 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-1H-1,3-benzodiazol-1-yl]-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0833
2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-1H-1,3-benzodiazol-1-yl]-N,N-diethylacetamide

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

Y080-0833

Molecular Formula

C22H30N4O2 (C22 H30 N4 O2)

Compound Name

2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-1H-1,3-benzodiazol-1-yl]-N,N-diethylacetamide

IUPAC name

2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-1H-13-benzodiazol-1-yl]-NN-diethylacetamide

SMILES

CCN(CC)C(Cn1c(cccc2)c2nc1C(C1)CN(C2CCCC2)C1=O)=O

InChI

InChI=1S/C22H30N4O2/c1-3-24(4-2)21(28)15-26-19-12-8-7-11-18(19)23-22(26)16-13-20(27)25(14-16)17-9-5-6-10-17/h7-8,11-12,16-17H,3-6,9-10,13-15H2,1-2H3/t16-/m1/s1

InChI Key

CSRHBUNFXWQQQQ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD13820964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-2.82

Polar Surface Area

42.521

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

Y080-0833 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y080-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0833?
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What is the minimum amount of Y080-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0833
  • 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 Y080-0833 available by request