E754-0294 Screening compound: 4-{3-benzyl-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-9-yl}benzoic acid

E754-0294 Screening compound: 4-{3-benzyl-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-9-yl}benzoic acid
E754-0294 Screening compound: 4-{3-benzyl-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-9-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E754-0294
4-{3-benzyl-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-9-yl}benzoic acid

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

E754-0294

Molecular Formula

C26H21NO5 (C26 H21 NO5)

Compound Name

4-{3-benzyl-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-9-yl}benzoic acid

IUPAC name

4-{3-benzyl-4-methyl-2-oxo-2H8H9H10H-chromeno[87-e][13]oxazin-9-yl}benzoic acid

SMILES

CC(c(ccc(OC1)c2CN1c(cc1)ccc1C(O)=O)c2O1)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C26H21NO5/c1-16-20-11-12-23-22(14-27(15-31-23)19-9-7-18(8-10-19)25(28)29)24(20)32-26(30)21(16)13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,28,29)

InChI Key

PLSHNPPEYLMQMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14915852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.618

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-5.48

Polar Surface Area

61.285

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with E754-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E754-0294?
Check Price and Availability of E754-0294, 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 E754-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E754-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E754-0294
  • 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 E754-0294 available by request