0591-5622 Screening compound: 7-chloro-2-(3,4-dimethylphenyl)-4H-3,1-benzoxazin-4-one

0591-5622 Screening compound: 7-chloro-2-(3,4-dimethylphenyl)-4H-3,1-benzoxazin-4-one
0591-5622 Screening compound: 7-chloro-2-(3,4-dimethylphenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5622
7-chloro-2-(3,4-dimethylphenyl)-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

0591-5622

Molecular Formula

C16H12ClNO2 (C16 H12 ClNO2)

Compound Name

7-chloro-2-(3,4-dimethylphenyl)-4H-3,1-benzoxazin-4-one

IUPAC name

7-chloro-2-(34-dimethylphenyl)-4H-31-benzoxazin-4-one

SMILES

Cc(cc1)c(C)cc1C(O1)=Nc(cc(cc2)Cl)c2C1=O

InChI

InChI=1S/C16H12ClNO2/c1-9-3-4-11(7-10(9)2)15-18-14-8-12(17)5-6-13(14)16(19)20-15/h3-8H,1-2H3

InChI Key

GKVKUPHYWJMJLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.68

Polar Surface Area

30.186

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0591-5622 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 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 0591-5622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5622?
Check Price and Availability of 0591-5622, 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 0591-5622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5622
  • 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 0591-5622 available by request