K788-6311 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

K788-6311 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
K788-6311 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6311
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2E)-3-oxo-2-(phenylmethylidene)-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

K788-6311

Molecular Formula

C27H26N2O5 (C27 H26 N2 O5)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2E)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[(2E)-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

COc(ccc(CCNC(CN(c(cccc1)c1O/C1=C/c2ccccc2)C1=O)=O)c1)c1OC

InChI

InChI=1S/C27H26N2O5/c1-32-23-13-12-20(16-24(23)33-2)14-15-28-26(30)18-29-21-10-6-7-11-22(21)34-25(27(29)31)17-19-8-4-3-5-9-19/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,30)

InChI Key

JMAAGJNIGXQUJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.75

Polar Surface Area

62.607

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with K788-6311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6311?
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What is the minimum amount of K788-6311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6311
  • 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 K788-6311 available by request