5930-0605 Screening compound: 2-[4-(acetyloxy)-3-methoxyphenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate

5930-0605 Screening compound: 2-[4-(acetyloxy)-3-methoxyphenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
5930-0605 Screening compound: 2-[4-(acetyloxy)-3-methoxyphenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5930-0605
2-[4-(acetyloxy)-3-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

5930-0605

Molecular Formula

C19H15NO7 (C19 H15 NO7)

Compound Name

2-[4-(acetyloxy)-3-methoxyphenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate

IUPAC name

2-[4-(acetyloxy)-3-methoxyphenyl]-4-oxo-4H-31-benzoxazin-6-yl acetate

SMILES

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

InChI

InChI=1S/C19H15NO7/c1-10(21)25-13-5-6-15-14(9-13)19(23)27-18(20-15)12-4-7-16(26-11(2)22)17(8-12)24-3/h4-9H,1-3H3

InChI Key

QMABFKFEIJZROX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03624608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.694

Distribution Coefficient, logD

1.694

Water Solubility, LogSw

-2.33

Polar Surface Area

79.405

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5930-0605 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5930-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5930-0605?
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What is the minimum amount of 5930-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5930-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5930-0605
  • 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 5930-0605 available by request