D125-2219 Screening compound: 1-(4-ethoxyphenyl)-4-{1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

D125-2219 Screening compound: 1-(4-ethoxyphenyl)-4-{1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
D125-2219 Screening compound: 1-(4-ethoxyphenyl)-4-{1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-2219
1-(4-ethoxyphenyl)-4-{1-[2-(4-methylphenoxy)ethyl]-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

D125-2219

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2CCOc2ccc(C)cc2)C1=O

InChI

InChI=1S/C28H29N3O3/c1-3-33-23-14-10-22(11-15-23)31-19-21(18-27(31)32)28-29-25-6-4-5-7-26(25)30(28)16-17-34-24-12-8-20(2)9-13-24/h4-15,21H,3,16-19H2,1-2H3/t21-/m1/s1

InChI Key

XSHUUMWNXQRSQF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD07413940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

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

5.758

Distribution Coefficient, logD

5.758

Water Solubility, LogSw

-5.41

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 D125-2219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-2219?
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What is the minimum amount of D125-2219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-2219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-2219
  • 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 D125-2219 available by request