8012-7389 Screening compound: [2-oxo-3-(propan-2-yl)-1,3-oxazolidin-5-yl]methyl 4-methylbenzene-1-sulfonate

8012-7389 Screening compound: [2-oxo-3-(propan-2-yl)-1,3-oxazolidin-5-yl]methyl 4-methylbenzene-1-sulfonate
8012-7389 Screening compound: [2-oxo-3-(propan-2-yl)-1,3-oxazolidin-5-yl]methyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7389
[2-oxo-3-(propan-2-yl)-1,3-oxazolidin-5-yl]methyl 4-methylbenzene-1-sulfonate

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

8012-7389

Molecular Formula

C14H19NO5S (C14 H19 NO5 S)

Compound Name

[2-oxo-3-(propan-2-yl)-1,3-oxazolidin-5-yl]methyl 4-methylbenzene-1-sulfonate

IUPAC name

[(5S)-2-oxo-3-(propan-2-yl)-13-oxazolidin-5-yl]methyl 4-methylbenzene-1-sulfonate

SMILES

CC(C)N(CC(COS(c1ccc(C)cc1)(=O)=O)O1)C1=O

InChI

InChI=1S/C14H19NO5S/c1-10(2)15-8-12(20-14(15)16)9-19-21(17,18)13-6-4-11(3)5-7-13/h4-7,10,12H,8-9H2,1-3H3/t12-/m1/s1

InChI Key

VSBCXARDKFKTHY-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03134007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.150

Distribution Coefficient, logD

2.150

Water Solubility, LogSw

-2.52

Polar Surface Area

61.908

Acid Dissociation Constant (pKa)

27.41

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8012-7389 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 8012-7389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7389?
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What is the minimum amount of 8012-7389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7389
  • 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 8012-7389 available by request