D125-2245 Screening compound: 1-(4-ethoxyphenyl)-4-{1-[4-(2-methoxyphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

D125-2245 Screening compound: 1-(4-ethoxyphenyl)-4-{1-[4-(2-methoxyphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
D125-2245 Screening compound: 1-(4-ethoxyphenyl)-4-{1-[4-(2-methoxyphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-2245
1-(4-ethoxyphenyl)-4-{1-[4-(2-methoxyphenoxy)butyl]-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

D125-2245

Molecular Formula

C30H33N3O4 (C30 H33 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2CCCCOc(cccc2)c2OC)C1=O

InChI

InChI=1S/C30H33N3O4/c1-3-36-24-16-14-23(15-17-24)33-21-22(20-29(33)34)30-31-25-10-4-5-11-26(25)32(30)18-8-9-19-37-28-13-7-6-12-27(28)35-2/h4-7,10-17,22H,3,8-9,18-21H2,1-2H3/t22-/m1/s1

InChI Key

OAMPGBBSKXVBEW-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD07413995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.437

Distribution Coefficient, logD

5.437

Water Solubility, LogSw

-5.24

Polar Surface Area

48.882

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D125-2245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-2245?
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What is the minimum amount of D125-2245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-2245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-2245
  • 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 D125-2245 available by request