C798-1392 Screening compound: methyl (2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

C798-1392 Screening compound: methyl (2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
C798-1392 Screening compound: methyl (2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1392
methyl (2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

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

C798-1392

Molecular Formula

C17H13NO4 (C17 H13 NO4)

Compound Name

methyl (2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

IUPAC name

methyl (2E)-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzoxazine-6-carboxylate

SMILES

COC(c(cc1)cc(NC2=O)c1O/C2=C/c1ccccc1)=O

InChI

InChI=1S/C17H13NO4/c1-21-17(20)12-7-8-14-13(10-12)18-16(19)15(22-14)9-11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)

InChI Key

YYIYOELQQRWKPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.490

Distribution Coefficient, logD

3.490

Water Solubility, LogSw

-3.80

Polar Surface Area

53.981

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with C798-1392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1392?
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What is the minimum amount of C798-1392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1392
  • 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 C798-1392 available by request