D011-0959 Screening compound: 1-(2-ethoxyphenyl)-4-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

D011-0959 Screening compound: 1-(2-ethoxyphenyl)-4-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
D011-0959 Screening compound: 1-(2-ethoxyphenyl)-4-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0959
1-(2-ethoxyphenyl)-4-[1-(3-phenoxypropyl)-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

D011-0959

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

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

IUPAC name

1-(2-ethoxyphenyl)-4-[1-(3-phenoxypropyl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

CCOc(cccc1)c1N(CC(C1)c2nc(cccc3)c3n2CCCOc2ccccc2)C1=O

InChI

InChI=1S/C28H29N3O3/c1-2-33-26-16-9-8-15-25(26)31-20-21(19-27(31)32)28-29-23-13-6-7-14-24(23)30(28)17-10-18-34-22-11-4-3-5-12-22/h3-9,11-16,21H,2,10,17-20H2,1H3/t21-/m1/s1

InChI Key

CMEYVQKMODKTKE-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD07441229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.430

Distribution Coefficient, logD

5.430

Water Solubility, LogSw

-5.27

Polar Surface Area

40.951

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D011-0959 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D011-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0959?
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What is the minimum amount of D011-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0959
  • 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 D011-0959 available by request