4334-1261 Screening compound: 2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one

4334-1261 Screening compound: 2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one
4334-1261 Screening compound: 2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-1261
2-(4-tert-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

4334-1261

Molecular Formula

C18H17NO2 (C18 H17 NO2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(O1)=Nc(cccc2)c2C1=O

InChI

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

InChI Key

INMWPCXDYPLTBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024127

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

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.45

Polar Surface Area

30.186

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4334-1261 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with 4334-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-1261?
Check Price and Availability of 4334-1261, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4334-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-1261
  • 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 4334-1261 available by request