D125-2221 Screening compound: 4-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(4-ethoxyphenyl)pyrrolidin-2-one

D125-2221 Screening compound: 4-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(4-ethoxyphenyl)pyrrolidin-2-one
D125-2221 Screening compound: 4-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(4-ethoxyphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-2221
4-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-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

D125-2221

Molecular Formula

C28H28ClN3O3 (C28 H28 ClN3 O3)

Compound Name

4-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(4-ethoxyphenyl)pyrrolidin-2-one

IUPAC name

4-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}-1-(4-ethoxyphenyl)pyrrolidin-2-one

SMILES

CCOc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2CCOc(cc2)cc(C)c2Cl)C1=O

InChI

InChI=1S/C28H28ClN3O3/c1-3-34-22-10-8-21(9-11-22)32-18-20(17-27(32)33)28-30-25-6-4-5-7-26(25)31(28)14-15-35-23-12-13-24(29)19(2)16-23/h4-13,16,20H,3,14-15,17-18H2,1-2H3/t20-/m0/s1

InChI Key

PXVNLKUKOJSQIM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD07413942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.614

Distribution Coefficient, logD

6.614

Water Solubility, LogSw

-6.12

Polar Surface Area

41.165

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D125-2221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-2221?
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What is the minimum amount of D125-2221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-2221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-2221
  • 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 D125-2221 available by request