0938-8029 Screening compound: 2-(4-butylphenyl)-4H-3,1-benzoxazin-4-one

0938-8029 Screening compound: 2-(4-butylphenyl)-4H-3,1-benzoxazin-4-one
0938-8029 Screening compound: 2-(4-butylphenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0938-8029
2-(4-butylphenyl)-4H-3,1-benzoxazin-4-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

0938-8029

Molecular Formula

C18H17NO2 (C18 H17 NO2)

Compound Name

2-(4-butylphenyl)-4H-3,1-benzoxazin-4-one

IUPAC name

2-(4-butylphenyl)-4H-31-benzoxazin-4-one

SMILES

CCCCc(cc1)ccc1C(O1)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C18H17NO2/c1-2-3-6-13-9-11-14(12-10-13)17-19-16-8-5-4-7-15(16)18(20)21-17/h4-5,7-12H,2-3,6H2,1H3

InChI Key

GHIINJOLSMWHCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

4.655

Water Solubility, LogSw

-4.55

Polar Surface Area

30.186

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

0938-8029 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Eye
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0938-8029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0938-8029?
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What is the minimum amount of 0938-8029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0938-8029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0938-8029
  • 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 0938-8029 available by request