1666-0071 Screening compound: 2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one

1666-0071 Screening compound: 2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one
1666-0071 Screening compound: 2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1666-0071
2,2-dimethyl-3,4-dihydro-2H-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

1666-0071

Molecular Formula

C10H11NO2 (C10 H11 NO2)

Compound Name

2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one

IUPAC name

22-dimethyl-34-dihydro-2H-13-benzoxazin-4-one

SMILES

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

InChI

InChI=1S/C10H11NO2/c1-10(2)11-9(12)7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12)

InChI Key

RXDGEARQCVVVIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00767789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

177.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.647

Distribution Coefficient, logD

1.647

Water Solubility, LogSw

-2.45

Polar Surface Area

32.465

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1666-0071 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Fragments
  • Pool
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1666-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1666-0071?
Check Price and Availability of 1666-0071, 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 1666-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1666-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1666-0071
  • 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 1666-0071 available by request