C700-0457 Screening compound: N-[(4-methylphenyl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C700-0457 Screening compound: N-[(4-methylphenyl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C700-0457 Screening compound: N-[(4-methylphenyl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0457
N-[(4-methylphenyl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

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

C700-0457

Molecular Formula

C32H28N2O3 (C32 H28 N2 O3)

Compound Name

N-[(4-methylphenyl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

IUPAC name

N-[(4-methylphenyl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzamide

SMILES

Cc1ccc(CNC(c2ccc(/C=C3/Oc(cccc4)c4N(Cc4cc(C)ccc4)C3=O)cc2)=O)cc1

InChI

InChI=1S/C32H28N2O3/c1-22-10-12-25(13-11-22)20-33-31(35)27-16-14-24(15-17-27)19-30-32(36)34(21-26-7-5-6-23(2)18-26)28-8-3-4-9-29(28)37-30/h3-19H,20-21H2,1-2H3,(H,33,35)

InChI Key

ZCJXHCSYSQNZRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.581

Distribution Coefficient, logD

6.581

Water Solubility, LogSw

-5.63

Polar Surface Area

47.446

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with C700-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0457?
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What is the minimum amount of C700-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0457
  • 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 C700-0457 available by request