CM4386-0292 Screening compound: 1-{2-[2-(1,5-dimethyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidinyl}-3-(1H-imidazol-1-yl)-1-propanone

CM4386-0292 Screening compound: 1-{2-[2-(1,5-dimethyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidinyl}-3-(1H-imidazol-1-yl)-1-propanone
CM4386-0292 Screening compound: 1-{2-[2-(1,5-dimethyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidinyl}-3-(1H-imidazol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4386-0292
1-{2-[2-(1,5-dimethyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidinyl}-3-(1H-imidazol-1-yl)-1-propanone

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

CM4386-0292

Molecular Formula

C17H25N5O (C17 H25 N5 O)

Compound Name

1-{2-[2-(1,5-dimethyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidinyl}-3-(1H-imidazol-1-yl)-1-propanone

IUPAC name

1-{2-[2-(15-dimethyl-1H-imidazol-2-yl)ethyl]pyrrolidin-1-yl}-3-(1H-imidazol-1-yl)propan-1-one

SMILES

Cc1cnc(CCC(CCC2)N2C(CCn2cncc2)=O)n1C

InChI

InChI=1S/C17H25N5O/c1-14-12-19-16(20(14)2)6-5-15-4-3-9-22(15)17(23)7-10-21-11-8-18-13-21/h8,11-13,15H,3-7,9-10H2,1-2H3/t15-/m1/s1

InChI Key

QWCYWRDBCGRLIR-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD30459882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.464

Distribution Coefficient, logD

-0.712

Water Solubility, LogSw

-0.71

Polar Surface Area

42.143

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

CM4386-0292 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM4386-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4386-0292?
Check Price and Availability of CM4386-0292, 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 CM4386-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4386-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4386-0292
  • 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 CM4386-0292 available by request