8012-2141 Screening compound: 4-hydroxy-4,5,5-trimethyl-3-(pyridin-2-yl)-1,3-oxazolidin-2-one

8012-2141 Screening compound: 4-hydroxy-4,5,5-trimethyl-3-(pyridin-2-yl)-1,3-oxazolidin-2-one
8012-2141 Screening compound: 4-hydroxy-4,5,5-trimethyl-3-(pyridin-2-yl)-1,3-oxazolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2141
4-hydroxy-4,5,5-trimethyl-3-(pyridin-2-yl)-1,3-oxazolidin-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

8012-2141

Molecular Formula

C11H14N2O3 (C11 H14 N2 O3)

Compound Name

4-hydroxy-4,5,5-trimethyl-3-(pyridin-2-yl)-1,3-oxazolidin-2-one

IUPAC name

4-hydroxy-455-trimethyl-3-(pyridin-2-yl)-13-oxazolidin-2-one

SMILES

CC(C)(C(C)(N1c2ncccc2)O)OC1=O

InChI

InChI=1S/C11H14N2O3/c1-10(2)11(3,15)13(9(14)16-10)8-6-4-5-7-12-8/h4-7,15H,1-3H3/t11-/m0/s1

InChI Key

PFEHGFYXDLHJMY-NSHDSACASA-N

MDL Number (MFCD)

MFCD02934238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

1.383

Water Solubility, LogSw

-1.46

Polar Surface Area

47.626

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

8012-2141 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8012-2141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2141?
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What is the minimum amount of 8012-2141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2141
  • 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 8012-2141 available by request