Y080-0529 Screening compound: 4-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one

Y080-0529 Screening compound: 4-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
Y080-0529 Screening compound: 4-{1-[2-(4-tert-butylphenoxy)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 Y080-0529
4-{1-[2-(4-tert-butylphenoxy)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

Y080-0529

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1OCCn1c(cccc2)c2nc1C(C1)CN(CC=C)C1=O

InChI

InChI=1S/C26H31N3O2/c1-5-14-28-18-19(17-24(28)30)25-27-22-8-6-7-9-23(22)29(25)15-16-31-21-12-10-20(11-13-21)26(2,3)4/h5-13,19H,1,14-18H2,2-4H3/t19-/m1/s1

InChI Key

FWLAUKBKRRJIQX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07789540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.569

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-5.49

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

38.50

References: we are preparing a list of scientific research reports with Y080-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0529?
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What is the minimum amount of Y080-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0529
  • 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 Y080-0529 available by request