5826-0351 Screening compound: 4-{[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]carbamoyl}phenyl acetate

5826-0351 Screening compound: 4-{[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]carbamoyl}phenyl acetate
5826-0351 Screening compound: 4-{[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]carbamoyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5826-0351
4-{[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]carbamoyl}phenyl 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

5826-0351

Molecular Formula

C23H16N2O5 (C23 H16 N2 O5)

Compound Name

4-{[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]carbamoyl}phenyl acetate

IUPAC name

4-{[3-(4-oxo-4H-31-benzoxazin-2-yl)phenyl]carbamoyl}phenyl acetate

SMILES

CC(Oc(cc1)ccc1C(Nc1cccc(C(O2)=Nc(cccc3)c3C2=O)c1)=O)=O

InChI

InChI=1S/C23H16N2O5/c1-14(26)29-18-11-9-15(10-12-18)21(27)24-17-6-4-5-16(13-17)22-25-20-8-3-2-7-19(20)23(28)30-22/h2-13H,1H3,(H,24,27)

InChI Key

BXRXCEWURBACJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03082008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.272

Distribution Coefficient, logD

3.271

Water Solubility, LogSw

-3.90

Polar Surface Area

74.028

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 5826-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5826-0351?
Check Price and Availability of 5826-0351, 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 5826-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5826-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5826-0351
  • 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 5826-0351 available by request