8013-3564 Screening compound: N~3~-(5-methyl-3-isoxazolyl)-5-oxo-2-phenyltetrahydro-3-furancarboxamide

8013-3564 Screening compound: N~3~-(5-methyl-3-isoxazolyl)-5-oxo-2-phenyltetrahydro-3-furancarboxamide
8013-3564 Screening compound: N~3~-(5-methyl-3-isoxazolyl)-5-oxo-2-phenyltetrahydro-3-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3564
N~3~-(5-methyl-3-isoxazolyl)-5-oxo-2-phenyltetrahydro-3-furancarboxamide

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

8013-3564

Molecular Formula

C15H14N2O4 (C15 H14 N2 O4)

Compound Name

N~3~-(5-methyl-3-isoxazolyl)-5-oxo-2-phenyltetrahydro-3-furancarboxamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-5-oxo-2-phenyloxolane-3-carboxamide

SMILES

Cc1cc(NC(C(C2)C(c3ccccc3)OC2=O)=O)no1

InChI

InChI=1S/C15H14N2O4/c1-9-7-12(17-21-9)16-15(19)11-8-13(18)20-14(11)10-5-3-2-4-6-10/h2-7,11,14H,8H2,1H3,(H,16,17,19)

InChI Key

JUWGLETXHZEIAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03711702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.248

Distribution Coefficient, logD

1.884

Water Solubility, LogSw

-3.04

Polar Surface Area

66.417

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.67

8013-3564 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-3564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3564?
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What is the minimum amount of 8013-3564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3564
  • 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 8013-3564 available by request