K781-5936 Screening compound: N-[(2-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

K781-5936 Screening compound: N-[(2-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide
K781-5936 Screening compound: N-[(2-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-5936
N-[(2-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

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

K781-5936

Molecular Formula

C21H26N2O6 (C21 H26 N2 O6)

Compound Name

N-[(2-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-3-[(345-trimethoxyphenyl)formamido]propanamide

SMILES

COc1c(CNC(CCNC(c(cc2OC)cc(OC)c2OC)=O)=O)cccc1

InChI

InChI=1S/C21H26N2O6/c1-26-16-8-6-5-7-14(16)13-23-19(24)9-10-22-21(25)15-11-17(27-2)20(29-4)18(12-15)28-3/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,25)(H,23,24)

InChI Key

IQGFQCYALNLLLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.782

Distribution Coefficient, logD

1.782

Water Solubility, LogSw

-2.38

Polar Surface Area

79.573

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K781-5936 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-5936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-5936?
Check Price and Availability of K781-5936, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K781-5936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-5936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-5936
  • 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 K781-5936 available by request