CM4386-2868 Screening compound: 1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-2-(2-fluorophenyl)ethan-1-one

CM4386-2868 Screening compound: 1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-2-(2-fluorophenyl)ethan-1-one
CM4386-2868 Screening compound: 1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-2-(2-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4386-2868
1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-2-(2-fluorophenyl)ethan-1-one

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

CM4386-2868

Molecular Formula

C22H28FN3O (C22 H28 FN3 O)

Compound Name

1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-2-(2-fluorophenyl)ethan-1-one

IUPAC name

1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-2-(2-fluorophenyl)ethan-1-one

SMILES

Cc1cnc(CCC(CCC2)N2C(Cc(cccc2)c2F)=O)n1CC1CC1

InChI

InChI=1S/C22H28FN3O/c1-16-14-24-21(26(16)15-17-8-9-17)11-10-19-6-4-12-25(19)22(27)13-18-5-2-3-7-20(18)23/h2-3,5,7,14,17,19H,4,6,8-13,15H2,1H3/t19-/m1/s1

InChI Key

VATYZVCDDRJQIR-LJQANCHMSA-N

MDL Number (MFCD)

MFCD30465765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.110

Water Solubility, LogSw

-3.74

Polar Surface Area

28.784

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

CM4386-2868 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM4386-2868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4386-2868?
Check Price and Availability of CM4386-2868, 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 CM4386-2868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4386-2868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4386-2868
  • 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 CM4386-2868 available by request