S751-0305 Screening compound: N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide

S751-0305 Screening compound: N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
S751-0305 Screening compound: N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-0305
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide

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

S751-0305

Molecular Formula

C21H26N4O (C21 H26 N4 O)

Compound Name

N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide

IUPAC name

N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide

SMILES

Cc1cnc(C2CC2)n1CCNC(CCCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C21H26N4O/c1-15-13-24-21(16-9-10-16)25(15)12-11-22-20(26)8-4-5-17-14-23-19-7-3-2-6-18(17)19/h2-3,6-7,13-14,16,23H,4-5,8-12H2,1H3,(H,22,26)

InChI Key

IMKUDSJJNCHGDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

-0.665

Water Solubility, LogSw

-2.96

Polar Surface Area

45.837

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

10.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

S751-0305 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S751-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-0305?
Check Price and Availability of S751-0305, 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 S751-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-0305
  • 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 S751-0305 available by request