C307-0025 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[(oxolan-2-yl)methyl]benzamide

C307-0025 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[(oxolan-2-yl)methyl]benzamide
C307-0025 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C307-0025
4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[(oxolan-2-yl)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

C307-0025

Molecular Formula

C28H25FN2O4 (C28 H25 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)NCC1OCCC1

InChI

InChI=1S/C28H25FN2O4/c29-23-8-2-1-6-21(23)18-31-24-9-3-4-10-25(24)35-26(28(31)33)16-19-11-13-20(14-12-19)27(32)30-17-22-7-5-15-34-22/h1-4,6,8-14,16,22H,5,7,15,17-18H2,(H,30,32)/t22-/m1/s1

InChI Key

GLVISMFRGZAATI-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14746883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.53

Polar Surface Area

56.100

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with C307-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C307-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C307-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C307-0025
  • 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 C307-0025 available by request