D125-2191 Screening compound: 4-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(4-ethoxyphenyl)pyrrolidin-2-one

D125-2191 Screening compound: 4-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(4-ethoxyphenyl)pyrrolidin-2-one
D125-2191 Screening compound: 4-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(4-ethoxyphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-2191
4-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(4-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

D125-2191

Molecular Formula

C26H24ClN3O2 (C26 H24 ClN3 O2)

Compound Name

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

IUPAC name

4-{1-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}-1-(4-ethoxyphenyl)pyrrolidin-2-one

SMILES

CCOc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2Cc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C26H24ClN3O2/c1-2-32-21-13-11-20(12-14-21)29-17-19(15-25(29)31)26-28-23-9-5-6-10-24(23)30(26)16-18-7-3-4-8-22(18)27/h3-14,19H,2,15-17H2,1H3/t19-/m0/s1

InChI Key

NZBWNGRMWQWNDM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08163273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.714

Distribution Coefficient, logD

5.714

Water Solubility, LogSw

-5.83

Polar Surface Area

33.769

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

D125-2191 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D125-2191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-2191?
Check Price and Availability of D125-2191, 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 D125-2191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-2191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-2191
  • 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 D125-2191 available by request