Y080-0614 Screening compound: 4-{1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}-1-(4-chlorophenyl)pyrrolidin-2-one

Y080-0614 Screening compound: 4-{1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}-1-(4-chlorophenyl)pyrrolidin-2-one
Y080-0614 Screening compound: 4-{1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}-1-(4-chlorophenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0614
4-{1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}-1-(4-chlorophenyl)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

Y080-0614

Molecular Formula

C26H23Cl2N3O3 (C26 H23 Cl2 N3 O3)

Compound Name

4-{1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}-1-(4-chlorophenyl)pyrrolidin-2-one

IUPAC name

4-{1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1H-13-benzodiazol-2-yl}-1-(4-chlorophenyl)pyrrolidin-2-one

SMILES

OC(Cn1c(cccc2)c2nc1C(CC1=O)CN1c(cc1)ccc1Cl)COc(cc1)ccc1Cl

InChI

InChI=1S/C26H23Cl2N3O3/c27-18-5-9-20(10-6-18)30-14-17(13-25(30)33)26-29-23-3-1-2-4-24(23)31(26)15-21(32)16-34-22-11-7-19(28)8-12-22/h1-12,17,21,32H,13-16H2

InChI Key

PDOBIAUGNGSWBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.684

Distribution Coefficient, logD

5.684

Water Solubility, LogSw

-5.77

Polar Surface Area

50.764

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with Y080-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0614?
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What is the minimum amount of Y080-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0614
  • 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 Y080-0614 available by request