8005-2145 Screening compound: 2-methyl-2-propyl-2,3-dihydro-4H-1,3-benzoxazin-4-one

8005-2145 Screening compound: 2-methyl-2-propyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
8005-2145 Screening compound: 2-methyl-2-propyl-2,3-dihydro-4H-1,3-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2145
2-methyl-2-propyl-2,3-dihydro-4H-1,3-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

8005-2145

Molecular Formula

C12H15NO2 (C12 H15 NO2)

Compound Name

2-methyl-2-propyl-2,3-dihydro-4H-1,3-benzoxazin-4-one

IUPAC name

2-methyl-2-propyl-34-dihydro-2H-13-benzoxazin-4-one

SMILES

CCCC(C)(N1)Oc(cccc2)c2C1=O

InChI

InChI=1S/C12H15NO2/c1-3-8-12(2)13-11(14)9-6-4-5-7-10(9)15-12/h4-7H,3,8H2,1-2H3,(H,13,14)/t12-/m0/s1

InChI Key

WKIAUWGQCZGVMH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00713703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-3.35

Polar Surface Area

33.266

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

8005-2145 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-2145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2145?
Check Price and Availability of 8005-2145, 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 8005-2145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2145
  • 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 8005-2145 available by request