K788-1996 Screening compound: 2-[(2E)-6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(pyridin-3-yl)methyl]acetamide

K788-1996 Screening compound: 2-[(2E)-6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(pyridin-3-yl)methyl]acetamide
K788-1996 Screening compound: 2-[(2E)-6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1996
2-[(2E)-6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(pyridin-3-yl)methyl]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

K788-1996

Molecular Formula

C27H26ClN3O3 (C27 H26 ClN3 O3)

Compound Name

2-[(2E)-6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-[(2E)-6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-[(pyridin-3-yl)methyl]acetamide

SMILES

CC(C)(C)c(cc1)cc(N(CC(NCc2cnccc2)=O)C2=O)c1O/C2=C/c(cc1)ccc1Cl

InChI

InChI=1S/C27H26ClN3O3/c1-27(2,3)20-8-11-23-22(14-20)31(17-25(32)30-16-19-5-4-12-29-15-19)26(33)24(34-23)13-18-6-9-21(28)10-7-18/h4-15H,16-17H2,1-3H3,(H,30,32)

InChI Key

JCODGQFKNHFBDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.97

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

4.999

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-5.42

Polar Surface Area

57.022

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K788-1996 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 K788-1996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1996
  • 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 K788-1996 available by request