K786-0394 Screening compound: N-[1-(adamantan-1-yl)ethyl]-4-(2,3-dihydro-1H-indol-1-yl)-3-(1H-imidazol-1-yl)-4-oxobutanamide

K786-0394 Screening compound: N-[1-(adamantan-1-yl)ethyl]-4-(2,3-dihydro-1H-indol-1-yl)-3-(1H-imidazol-1-yl)-4-oxobutanamide
K786-0394 Screening compound: N-[1-(adamantan-1-yl)ethyl]-4-(2,3-dihydro-1H-indol-1-yl)-3-(1H-imidazol-1-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0394
N-[1-(adamantan-1-yl)ethyl]-4-(2,3-dihydro-1H-indol-1-yl)-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

K786-0394

Molecular Formula

C27H34N4O2 (C27 H34 N4 O2)

Compound Name

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

IUPAC name

N-[1-(adamantan-1-yl)ethyl]-4-(23-dihydro-1H-indol-1-yl)-3-(1H-imidazol-1-yl)-4-oxobutanamide

SMILES

CC(C1(CC(C2)C3)CC3CC2C1)NC(CC(C(N(CC1)c2c1cccc2)=O)n1cncc1)=O

InChI

InChI=1S/C27H34N4O2/c1-18(27-14-19-10-20(15-27)12-21(11-19)16-27)29-25(32)13-24(30-9-7-28-17-30)26(33)31-8-6-22-4-2-3-5-23(22)31/h2-5,7,9,17-21,24H,6,8,10-16H2,1H3,(H,29,32)

InChI Key

BDWWNXHESBCDBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-3.61

Polar Surface Area

51.848

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.30

K786-0394 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with K786-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0394?
Check Price and Availability of K786-0394, 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 K786-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0394
  • 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 K786-0394 available by request