D011-0913 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one

D011-0913 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
D011-0913 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0913
4-(1H-1,3-benzodiazol-2-yl)-1-(2-ethoxyphenyl)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

D011-0913

Molecular Formula

C19H19N3O2 (C19 H19 N3 O2)

Compound Name

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

IUPAC name

4-(1H-13-benzodiazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one

SMILES

CCOc(cccc1)c1N(CC(C1)c2nc(cccc3)c3[nH]2)C1=O

InChI

InChI=1S/C19H19N3O2/c1-2-24-17-10-6-5-9-16(17)22-12-13(11-18(22)23)19-20-14-7-3-4-8-15(14)21-19/h3-10,13H,2,11-12H2,1H3,(H,20,21)/t13-/m1/s1

InChI Key

ZOWZYFVCGGIUHU-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD07441193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.26

Polar Surface Area

42.917

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D011-0913 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D011-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0913?
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What is the minimum amount of D011-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0913
  • 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 D011-0913 available by request