8017-3779 Screening compound: 4-hydroxy-3-[2-(1H-imidazol-5-yl)ethyl]-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolan-2-one

8017-3779 Screening compound: 4-hydroxy-3-[2-(1H-imidazol-5-yl)ethyl]-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolan-2-one
8017-3779 Screening compound: 4-hydroxy-3-[2-(1H-imidazol-5-yl)ethyl]-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3779
4-hydroxy-3-[2-(1H-imidazol-5-yl)ethyl]-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolan-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

8017-3779

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

4-hydroxy-3-[2-(1H-imidazol-5-yl)ethyl]-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolan-2-one

IUPAC name

4-hydroxy-3-[2-(1H-imidazol-5-yl)ethyl]-45-dimethyl-5-(2-methyl-2-phenylpropyl)-13-oxazolidin-2-one

SMILES

CC(C)(CC(C)(C(C)(N1CCc2cnc[nH]2)O)OC1=O)c1ccccc1

InChI

InChI=1S/C20H27N3O3/c1-18(2,15-8-6-5-7-9-15)13-19(3)20(4,25)23(17(24)26-19)11-10-16-12-21-14-22-16/h5-9,12,14,25H,10-11,13H2,1-4H3,(H,21,22)

InChI Key

BAGFKPVMVHIIAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-3.28

Polar Surface Area

61.421

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

8017-3779 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-3779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3779?
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What is the minimum amount of 8017-3779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3779
  • 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 8017-3779 available by request