CM4386-0272 Screening compound: 1-{2-[2-(1,5-dimethyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidinyl}-2,2-dimethyl-1-propanone

CM4386-0272 Screening compound: 1-{2-[2-(1,5-dimethyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidinyl}-2,2-dimethyl-1-propanone
CM4386-0272 Screening compound: 1-{2-[2-(1,5-dimethyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidinyl}-2,2-dimethyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4386-0272
1-{2-[2-(1,5-dimethyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidinyl}-2,2-dimethyl-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

CM4386-0272

Molecular Formula

C16H27N3O (C16 H27 N3 O)

Compound Name

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

IUPAC name

1-{2-[2-(15-dimethyl-1H-imidazol-2-yl)ethyl]pyrrolidin-1-yl}-22-dimethylpropan-1-one

SMILES

CC(C)(C)C(N1C(CCc2ncc(C)n2C)CCC1)=O

InChI

InChI=1S/C16H27N3O/c1-12-11-17-14(18(12)5)9-8-13-7-6-10-19(13)15(20)16(2,3)4/h11,13H,6-10H2,1-5H3/t13-/m1/s1

InChI Key

PEKZLVVPELUMEQ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD30459883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.074

Distribution Coefficient, logD

0.897

Water Solubility, LogSw

-1.85

Polar Surface Area

30.141

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

CM4386-0272 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with CM4386-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4386-0272?
Check Price and Availability of CM4386-0272, 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 CM4386-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4386-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4386-0272
  • 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 CM4386-0272 available by request