7647-0940 Screening compound: 2-(3-ethoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propanoate

7647-0940 Screening compound: 2-(3-ethoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propanoate
7647-0940 Screening compound: 2-(3-ethoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7647-0940
2-(3-ethoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propanoate

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

7647-0940

Molecular Formula

C19H17NO5 (C19 H17 NO5)

Compound Name

2-(3-ethoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propanoate

IUPAC name

2-(3-ethoxyphenyl)-4-oxo-4H-31-benzoxazin-6-yl propanoate

SMILES

CCC(Oc(cc1)cc2c1N=C(c1cc(OCC)ccc1)OC2=O)=O

InChI

InChI=1S/C19H17NO5/c1-3-17(21)24-14-8-9-16-15(11-14)19(22)25-18(20-16)12-6-5-7-13(10-12)23-4-2/h5-11H,3-4H2,1-2H3

InChI Key

AGECXBNPJKIOHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.292

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-3.84

Polar Surface Area

57.364

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7647-0940 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7647-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7647-0940?
Check Price and Availability of 7647-0940, 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 7647-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7647-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7647-0940
  • 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 7647-0940 available by request