C307-0152 Screening compound: 4-{[(2Z)-4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[(thiophen-2-yl)methyl]benzamide

C307-0152 Screening compound: 4-{[(2Z)-4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[(thiophen-2-yl)methyl]benzamide
C307-0152 Screening compound: 4-{[(2Z)-4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C307-0152
4-{[(2Z)-4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[(thiophen-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

C307-0152

Molecular Formula

C28H21FN2O3S (C28 H21 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc3cc(F)ccc3)C2=O)cc1)NCc1cccs1

InChI

InChI=1S/C28H21FN2O3S/c29-22-6-3-5-20(15-22)18-31-24-8-1-2-9-25(24)34-26(28(31)33)16-19-10-12-21(13-11-19)27(32)30-17-23-7-4-14-35-23/h1-16H,17-18H2,(H,30,32)

InChI Key

GNWMTIXVDAZFHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

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

5.609

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-5.94

Polar Surface Area

48.464

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with C307-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C307-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C307-0152
  • 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 C307-0152 available by request