CM4386-2950 Screening compound: 1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-4-(morpholin-4-yl)butane-1,4-dione

CM4386-2950 Screening compound: 1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-4-(morpholin-4-yl)butane-1,4-dione
CM4386-2950 Screening compound: 1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-4-(morpholin-4-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4386-2950
1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-4-(morpholin-4-yl)butane-1,4-dione

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

CM4386-2950

Molecular Formula

C22H34N4O3 (C22 H34 N4 O3)

Compound Name

1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-4-(morpholin-4-yl)butane-1,4-dione

IUPAC name

1-(2-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}pyrrolidin-1-yl)-4-(morpholin-4-yl)butane-14-dione

SMILES

Cc1cnc(CCC(CCC2)N2C(CCC(N2CCOCC2)=O)=O)n1CC1CC1

InChI

InChI=1S/C22H34N4O3/c1-17-15-23-20(26(17)16-18-4-5-18)7-6-19-3-2-10-25(19)22(28)9-8-21(27)24-11-13-29-14-12-24/h15,18-19H,2-14,16H2,1H3

InChI Key

CATCLKATCIAOBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30467471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.998

Distribution Coefficient, logD

0.366

Water Solubility, LogSw

-1.29

Polar Surface Area

53.085

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.27

CM4386-2950 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM4386-2950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4386-2950?
Check Price and Availability of CM4386-2950, 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 CM4386-2950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4386-2950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4386-2950
  • 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 CM4386-2950 available by request