D347-2814 Screening compound: 4-[1-(2-cyclohexylethyl)-1H-1,3-benzodiazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one

D347-2814 Screening compound: 4-[1-(2-cyclohexylethyl)-1H-1,3-benzodiazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
D347-2814 Screening compound: 4-[1-(2-cyclohexylethyl)-1H-1,3-benzodiazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2814
4-[1-(2-cyclohexylethyl)-1H-1,3-benzodiazol-2-yl]-1-(3-methylphenyl)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

D347-2814

Molecular Formula

C26H31N3O (C26 H31 N3 O)

Compound Name

4-[1-(2-cyclohexylethyl)-1H-1,3-benzodiazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one

IUPAC name

4-[1-(2-cyclohexylethyl)-1H-13-benzodiazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one

SMILES

Cc1cccc(N(CC(C2)c3nc(cccc4)c4n3CCC3CCCCC3)C2=O)c1

InChI

InChI=1S/C26H31N3O/c1-19-8-7-11-22(16-19)29-18-21(17-25(29)30)26-27-23-12-5-6-13-24(23)28(26)15-14-20-9-3-2-4-10-20/h5-8,11-13,16,20-21H,2-4,9-10,14-15,17-18H2,1H3/t21-/m1/s1

InChI Key

QTOSBASDCNVGDI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD05692782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.351

Distribution Coefficient, logD

6.351

Water Solubility, LogSw

-5.51

Polar Surface Area

26.816

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

D347-2814 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D347-2814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2814?
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What is the minimum amount of D347-2814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2814
  • 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 D347-2814 available by request