D125-2180 Screening compound: 1-(4-ethoxyphenyl)-4-[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

D125-2180 Screening compound: 1-(4-ethoxyphenyl)-4-[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
D125-2180 Screening compound: 1-(4-ethoxyphenyl)-4-[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-2180
1-(4-ethoxyphenyl)-4-[1-(2-methylbutyl)-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

D125-2180

Molecular Formula

C24H29N3O2 (C24 H29 N3 O2)

Compound Name

1-(4-ethoxyphenyl)-4-[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-(4-ethoxyphenyl)-4-[1-(2-methylbutyl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

CCC(C)Cn1c(cccc2)c2nc1C(CC1=O)CN1c(cc1)ccc1OCC

InChI

InChI=1S/C24H29N3O2/c1-4-17(3)15-27-22-9-7-6-8-21(22)25-24(27)18-14-23(28)26(16-18)19-10-12-20(13-11-19)29-5-2/h6-13,17-18H,4-5,14-16H2,1-3H3

InChI Key

WWFKQZYWUQZVSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07422213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.377

Water Solubility, LogSw

-5.31

Polar Surface Area

34.041

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

D125-2180 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D125-2180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-2180?
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What is the minimum amount of D125-2180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-2180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-2180
  • 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 D125-2180 available by request