Y080-0637 Screening compound: 1-(4-ethoxyphenyl)-4-[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

Y080-0637 Screening compound: 1-(4-ethoxyphenyl)-4-[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
Y080-0637 Screening compound: 1-(4-ethoxyphenyl)-4-[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0637
1-(4-ethoxyphenyl)-4-[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-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

Y080-0637

Molecular Formula

C22H23N3O2 (C22 H23 N3 O2)

Compound Name

1-(4-ethoxyphenyl)-4-[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-(4-ethoxyphenyl)-4-[1-(prop-2-en-1-yl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

CCOc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2CC=C)C1=O

InChI

InChI=1S/C22H23N3O2/c1-3-13-24-20-8-6-5-7-19(20)23-22(24)16-14-21(26)25(15-16)17-9-11-18(12-10-17)27-4-2/h3,5-12,16H,1,4,13-15H2,2H3/t16-/m1/s1

InChI Key

VIZGGIRUKRYCEQ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04350229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.11

Polar Surface Area

34.019

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with Y080-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0637?
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What is the minimum amount of Y080-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0637
  • 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 Y080-0637 available by request