D011-0747 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one

D011-0747 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one
D011-0747 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0747
4-(1H-1,3-benzodiazol-2-yl)-1-(3-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

D011-0747

Molecular Formula

C17H14ClN3O (C17 H14 ClN3 O)

Compound Name

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

IUPAC name

4-(1H-13-benzodiazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one

SMILES

O=C(CC(C1)c2nc(cccc3)c3[nH]2)N1c1cccc(Cl)c1

InChI

InChI=1S/C17H14ClN3O/c18-12-4-3-5-13(9-12)21-10-11(8-16(21)22)17-19-14-6-1-2-7-15(14)20-17/h1-7,9,11H,8,10H2,(H,19,20)/t11-/m1/s1

InChI Key

KNAIOJRFSJJQER-LLVKDONJSA-N

MDL Number (MFCD)

MFCD06751955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.48

Polar Surface Area

36.008

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

D011-0747 in Drug Discovery

Included in Screening Libraries

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 D011-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0747?
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What is the minimum amount of D011-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0747
  • 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 D011-0747 available by request