K788-8659 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

K788-8659 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
K788-8659 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8659
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2Z)-2-[(4-methoxyphenyl)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

K788-8659

Molecular Formula

C30H32N2O6 (C30 H32 N2 O6)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

CCOc(ccc(CCNC(CN(c(cccc1)c1O/C1=C\c(cc2)ccc2OC)C1=O)=O)c1)c1OCC

InChI

InChI=1S/C30H32N2O6/c1-4-36-26-15-12-22(18-27(26)37-5-2)16-17-31-29(33)20-32-24-8-6-7-9-25(24)38-28(30(32)34)19-21-10-13-23(35-3)14-11-21/h6-15,18-19H,4-5,16-17,20H2,1-3H3,(H,31,33)

InChI Key

SXIRFXVBHTZFBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.764

Water Solubility, LogSw

-4.11

Polar Surface Area

69.310

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K788-8659 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K788-8659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8659?
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What is the minimum amount of K788-8659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8659
  • 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 K788-8659 available by request