K786-3374 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

K786-3374 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide
K786-3374 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3374
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-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

K786-3374

Molecular Formula

C22H25BrN2O4 (C22 H25 BrN2 O4)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamide

SMILES

CC(C)(C)c(cc1)cc(N2CC(NCc(cc(cc3)Br)c3OC)=O)c1OCC2=O

InChI

InChI=1S/C22H25BrN2O4/c1-22(2,3)15-5-7-19-17(10-15)25(21(27)13-29-19)12-20(26)24-11-14-9-16(23)6-8-18(14)28-4/h5-10H,11-13H2,1-4H3,(H,24,26)

InChI Key

LNIDCSMDAHXFHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.36

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

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.45

Polar Surface Area

56.170

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with K786-3374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3374?
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What is the minimum amount of K786-3374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3374
  • 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 K786-3374 available by request