K786-0746 Screening compound: 4-(2,3-dihydro-1H-indol-1-yl)-N-[(2-ethoxyphenyl)methyl]-3-(1H-imidazol-1-yl)-4-oxobutanamide

K786-0746 Screening compound: 4-(2,3-dihydro-1H-indol-1-yl)-N-[(2-ethoxyphenyl)methyl]-3-(1H-imidazol-1-yl)-4-oxobutanamide
K786-0746 Screening compound: 4-(2,3-dihydro-1H-indol-1-yl)-N-[(2-ethoxyphenyl)methyl]-3-(1H-imidazol-1-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0746
4-(2,3-dihydro-1H-indol-1-yl)-N-[(2-ethoxyphenyl)methyl]-3-(1H-imidazol-1-yl)-4-oxobutanamide

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

K786-0746

Molecular Formula

C24H26N4O3 (C24 H26 N4 O3)

Compound Name

4-(2,3-dihydro-1H-indol-1-yl)-N-[(2-ethoxyphenyl)methyl]-3-(1H-imidazol-1-yl)-4-oxobutanamide

IUPAC name

4-(23-dihydro-1H-indol-1-yl)-N-[(2-ethoxyphenyl)methyl]-3-(1H-imidazol-1-yl)-4-oxobutanamide

SMILES

CCOc1c(CNC(CC(C(N(CC2)c3c2cccc3)=O)n2cncc2)=O)cccc1

InChI

InChI=1S/C24H26N4O3/c1-2-31-22-10-6-4-8-19(22)16-26-23(29)15-21(27-14-12-25-17-27)24(30)28-13-11-18-7-3-5-9-20(18)28/h3-10,12,14,17,21H,2,11,13,15-16H2,1H3,(H,26,29)/t21-/m0/s1

InChI Key

XCQCQKVKSORRPJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03830940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

2.353

Water Solubility, LogSw

-2.50

Polar Surface Area

59.861

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

K786-0746 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K786-0746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0746?
Check Price and Availability of K786-0746, 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 K786-0746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0746
  • 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 K786-0746 available by request