7647-0938 Screening compound: 2-(5-chloro-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate

7647-0938 Screening compound: 2-(5-chloro-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
7647-0938 Screening compound: 2-(5-chloro-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7647-0938
2-(5-chloro-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate

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

7647-0938

Molecular Formula

C17H12ClNO5 (C17 H12 ClNO5)

Compound Name

2-(5-chloro-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate

IUPAC name

2-(5-chloro-2-methoxyphenyl)-4-oxo-4H-31-benzoxazin-6-yl acetate

SMILES

CC(Oc(cc1)cc2c1N=C(c(cc(cc1)Cl)c1OC)OC2=O)=O

InChI

InChI=1S/C17H12ClNO5/c1-9(20)23-11-4-5-14-12(8-11)17(21)24-16(19-14)13-7-10(18)3-6-15(13)22-2/h3-8H,1-2H3

InChI Key

HAUNGNXAKNQIHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-3.49

Polar Surface Area

58.567

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

7647-0938 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7647-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7647-0938?
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What is the minimum amount of 7647-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7647-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7647-0938
  • 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 7647-0938 available by request