C307-0162 Screening compound: N-butyl-4-{[(2Z)-4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C307-0162 Screening compound: N-butyl-4-{[(2Z)-4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C307-0162 Screening compound: N-butyl-4-{[(2Z)-4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C307-0162
N-butyl-4-{[(2Z)-4-[(3-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

C307-0162

Molecular Formula

C27H25FN2O3 (C27 H25 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(c1ccc(/C=C2\Oc(cccc3)c3N(Cc3cccc(F)c3)C2=O)cc1)=O

InChI

InChI=1S/C27H25FN2O3/c1-2-3-15-29-26(31)21-13-11-19(12-14-21)17-25-27(32)30(18-20-7-6-8-22(28)16-20)23-9-4-5-10-24(23)33-25/h4-14,16-17H,2-3,15,18H2,1H3,(H,29,31)

InChI Key

WSTBEFOTCZMFFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.446

Distribution Coefficient, logD

5.446

Water Solubility, LogSw

-5.33

Polar Surface Area

47.559

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with C307-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C307-0162?
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What is the minimum amount of C307-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C307-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C307-0162
  • 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 C307-0162 available by request