7647-0942 Screening compound: 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate

7647-0942 Screening compound: 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate
7647-0942 Screening compound: 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7647-0942
2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate

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

7647-0942

Molecular Formula

C19H17NO4 (C19 H17 NO4)

Compound Name

2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate

IUPAC name

2-(34-dimethylphenyl)-4-oxo-4H-31-benzoxazin-6-yl propanoate

SMILES

CCC(Oc(cc1)cc2c1N=C(c1cc(C)c(C)cc1)OC2=O)=O

InChI

InChI=1S/C19H17NO4/c1-4-17(21)23-14-7-8-16-15(10-14)19(22)24-18(20-16)13-6-5-11(2)12(3)9-13/h5-10H,4H2,1-3H3

InChI Key

PGGUOGOQGDNJDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-3.97

Polar Surface Area

50.240

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

7647-0942 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 7647-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7647-0942?
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What is the minimum amount of 7647-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7647-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7647-0942
  • 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 7647-0942 available by request