S852-0003 Screening compound: 5-methyl-1-(propan-2-yl)-2-[2-(pyrrolidin-2-yl)ethyl]-1H-imidazole

S852-0003 Screening compound: 5-methyl-1-(propan-2-yl)-2-[2-(pyrrolidin-2-yl)ethyl]-1H-imidazole
S852-0003 Screening compound: 5-methyl-1-(propan-2-yl)-2-[2-(pyrrolidin-2-yl)ethyl]-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S852-0003
5-methyl-1-(propan-2-yl)-2-[2-(pyrrolidin-2-yl)ethyl]-1H-imidazole

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

S852-0003

Molecular Formula

C13H23N3 (C13 H23 N3)

Compound Name

5-methyl-1-(propan-2-yl)-2-[2-(pyrrolidin-2-yl)ethyl]-1H-imidazole

IUPAC name

5-methyl-1-(propan-2-yl)-2-[2-(pyrrolidin-2-yl)ethyl]-1H-imidazole

SMILES

CC(C)n1c(CCC2NCCC2)ncc1C

InChI

InChI=1S/C13H23N3/c1-10(2)16-11(3)9-15-13(16)7-6-12-5-4-8-14-12/h9-10,12,14H,4-8H2,1-3H3/t12-/m1/s1

InChI Key

BADXMJKJDVOGTD-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD30466217

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

221.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.993

Distribution Coefficient, logD

-2.420

Water Solubility, LogSw

-1.38

Polar Surface Area

26.251

Acid Dissociation Constant (pKa)

22.69

Base Dissociation Constant (pKb)

10.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.92

S852-0003 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S852-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S852-0003?
Check Price and Availability of S852-0003, 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 S852-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S852-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S852-0003
  • 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 S852-0003 available by request