D340-0555 Screening compound: N4-cyclohexyl-N5-[2-(1H-indol-3-yl)ethyl]-1H-imidazole-4,5-dicarboxamide

D340-0555 Screening compound: N4-cyclohexyl-N5-[2-(1H-indol-3-yl)ethyl]-1H-imidazole-4,5-dicarboxamide
D340-0555 Screening compound: N4-cyclohexyl-N5-[2-(1H-indol-3-yl)ethyl]-1H-imidazole-4,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D340-0555
N4-cyclohexyl-N5-[2-(1H-indol-3-yl)ethyl]-1H-imidazole-4,5-dicarboxamide

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

D340-0555

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

N4-cyclohexyl-N5-[2-(1H-indol-3-yl)ethyl]-1H-imidazole-4,5-dicarboxamide

IUPAC name

N4-cyclohexyl-N5-[2-(1H-indol-3-yl)ethyl]-1H-imidazole-45-dicarboxamide

SMILES

O=C(c1c(C(NC2CCCCC2)=O)nc[nH]1)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C21H25N5O2/c27-20(22-11-10-14-12-23-17-9-5-4-8-16(14)17)18-19(25-13-24-18)21(28)26-15-6-2-1-3-7-15/h4-5,8-9,12-13,15,23H,1-3,6-7,10-11H2,(H,22,27)(H,24,25)(H,26,28)

InChI Key

UMEPGTHFZVOLLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

2.439

Water Solubility, LogSw

-2.63

Polar Surface Area

80.872

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D340-0555 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D340-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D340-0555?
Check Price and Availability of D340-0555, 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 D340-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D340-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D340-0555
  • 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 D340-0555 available by request