K788-5451 Screening compound: N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

K788-5451 Screening compound: N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
K788-5451 Screening compound: N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5451
N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

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

K788-5451

Molecular Formula

C24H18F2N2O3 (C24 H18 F2 N2 O3)

Compound Name

N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2F)C1=O)NCc(cc1)ccc1F

InChI

InChI=1S/C24H18F2N2O3/c25-18-11-9-16(10-12-18)14-27-23(29)15-28-20-7-3-4-8-21(20)31-22(24(28)30)13-17-5-1-2-6-19(17)26/h1-13H,14-15H2,(H,27,29)

InChI Key

PCJZFCMXZUTPDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.54

Polar Surface Area

47.504

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

K788-5451 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-5451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5451?
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What is the minimum amount of K788-5451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5451
  • 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 K788-5451 available by request