D078-0186 Screening compound: 1-(dimethylamino)-3-[2-(oxolan-2-yl)-1H-1,3-benzodiazol-1-yl]-1-phenylpropan-2-one

D078-0186 Screening compound: 1-(dimethylamino)-3-[2-(oxolan-2-yl)-1H-1,3-benzodiazol-1-yl]-1-phenylpropan-2-one
D078-0186 Screening compound: 1-(dimethylamino)-3-[2-(oxolan-2-yl)-1H-1,3-benzodiazol-1-yl]-1-phenylpropan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D078-0186
1-(dimethylamino)-3-[2-(oxolan-2-yl)-1H-1,3-benzodiazol-1-yl]-1-phenylpropan-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

D078-0186

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

1-(dimethylamino)-3-[2-(oxolan-2-yl)-1H-1,3-benzodiazol-1-yl]-1-phenylpropan-2-one

IUPAC name

1-(dimethylamino)-3-[2-(oxolan-2-yl)-1H-13-benzodiazol-1-yl]-1-phenylpropan-2-one

SMILES

CN(C)C(C(Cn1c(cccc2)c2nc1C1OCCC1)=O)c1ccccc1

InChI

InChI=1S/C22H25N3O2/c1-24(2)21(16-9-4-3-5-10-16)19(26)15-25-18-12-7-6-11-17(18)23-22(25)20-13-8-14-27-20/h3-7,9-12,20-21H,8,13-15H2,1-2H3

InChI Key

GEVQUAPAKMIDAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.234

Water Solubility, LogSw

-3.26

Polar Surface Area

33.932

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

D078-0186 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with D078-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D078-0186?
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What is the minimum amount of D078-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D078-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D078-0186
  • 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 D078-0186 available by request