8020-1074 Screening compound: 3-(5,5-dimethyl-4-methylidene-2-oxo-1,3-oxazolidin-3-yl)propanenitrile

8020-1074 Screening compound: 3-(5,5-dimethyl-4-methylidene-2-oxo-1,3-oxazolidin-3-yl)propanenitrile
8020-1074 Screening compound: 3-(5,5-dimethyl-4-methylidene-2-oxo-1,3-oxazolidin-3-yl)propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1074
3-(5,5-dimethyl-4-methylidene-2-oxo-1,3-oxazolidin-3-yl)propanenitrile

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

8020-1074

Molecular Formula

C9H12N2O2 (C9 H12 N2 O2)

Compound Name

3-(5,5-dimethyl-4-methylidene-2-oxo-1,3-oxazolidin-3-yl)propanenitrile

IUPAC name

3-(55-dimethyl-4-methylidene-2-oxo-13-oxazolidin-3-yl)propanenitrile

SMILES

CC(C)(C(N1CCC#N)=C)OC1=O

InChI

InChI=1S/C9H12N2O2/c1-7-9(2,3)13-8(12)11(7)6-4-5-10/h1,4,6H2,2-3H3

InChI Key

NTRAPRWNPNMFBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

180.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.147

Distribution Coefficient, logD

1.147

Water Solubility, LogSw

-0.87

Polar Surface Area

41.229

Acid Dissociation Constant (pKa)

21.98

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with 8020-1074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1074?
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What is the minimum amount of 8020-1074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1074
  • 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 8020-1074 available by request