C307-0007 Screening compound: N-[(4-chlorophenyl)methyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C307-0007 Screening compound: N-[(4-chlorophenyl)methyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C307-0007 Screening compound: N-[(4-chlorophenyl)methyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C307-0007
N-[(4-chlorophenyl)methyl]-4-{[(2Z)-4-[(2-fluorophenyl)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

C307-0007

Molecular Formula

C30H22ClFN2O3 (C30 H22 ClFN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)NCc(cc1)ccc1Cl

InChI

InChI=1S/C30H22ClFN2O3/c31-24-15-11-21(12-16-24)18-33-29(35)22-13-9-20(10-14-22)17-28-30(36)34(19-23-5-1-2-6-25(23)32)26-7-3-4-8-27(26)37-28/h1-17H,18-19H2,(H,33,35)

InChI Key

NPIPUSZZOLCTGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.97

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

6.247

Distribution Coefficient, logD

6.247

Water Solubility, LogSw

-6.42

Polar Surface Area

47.446

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with C307-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C307-0007?
Check Price and Availability of C307-0007, 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 C307-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C307-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C307-0007
  • 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 C307-0007 available by request