D011-0072 Screening compound: 1-(2-ethylphenyl)-4-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

D011-0072 Screening compound: 1-(2-ethylphenyl)-4-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
D011-0072 Screening compound: 1-(2-ethylphenyl)-4-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0072
1-(2-ethylphenyl)-4-{1-[(3-methylphenyl)methyl]-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

D011-0072

Molecular Formula

C27H27N3O (C27 H27 N3 O)

Compound Name

1-(2-ethylphenyl)-4-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(2-ethylphenyl)-4-{1-[(3-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

CCc(cccc1)c1N(CC(C1)c2nc(cccc3)c3n2Cc2cc(C)ccc2)C1=O

InChI

InChI=1S/C27H27N3O/c1-3-21-11-4-6-13-24(21)29-18-22(16-26(29)31)27-28-23-12-5-7-14-25(23)30(27)17-20-10-8-9-19(2)15-20/h4-15,22H,3,16-18H2,1-2H3/t22-/m1/s1

InChI Key

LZVZXZCMFBCTCF-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD07440414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.271

Distribution Coefficient, logD

6.271

Water Solubility, LogSw

-5.44

Polar Surface Area

26.344

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D011-0072 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 D011-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0072?
Check Price and Availability of D011-0072, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D011-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0072
  • 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 D011-0072 available by request