Y080-0525 Screening compound: 4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one

Y080-0525 Screening compound: 4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
Y080-0525 Screening compound: 4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0525
4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-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

Y080-0525

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one

IUPAC name

4-{1-[2-(3-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one

SMILES

Cc1cccc(OCCn2c(cccc3)c3nc2C(C2)CN(CC=C)C2=O)c1

InChI

InChI=1S/C23H25N3O2/c1-3-11-25-16-18(15-22(25)27)23-24-20-9-4-5-10-21(20)26(23)12-13-28-19-8-6-7-17(2)14-19/h3-10,14,18H,1,11-13,15-16H2,2H3/t18-/m1/s1

InChI Key

ILXGMNNCLLJBNW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD07188455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

4.266

Water Solubility, LogSw

-4.32

Polar Surface Area

34.737

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with Y080-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0525?
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What is the minimum amount of Y080-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0525
  • 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 Y080-0525 available by request