S694-1542 Screening compound: 5-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2-methoxypyridine

S694-1542 Screening compound: 5-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2-methoxypyridine
S694-1542 Screening compound: 5-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2-methoxypyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1542
5-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2-methoxypyridine

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

S694-1542

Molecular Formula

C16H20N4O2 (C16 H20 N4 O2)

Compound Name

5-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2-methoxypyridine

IUPAC name

5-[3-(25-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2-methoxypyridine

SMILES

Cc1cnc(C)n1C(CC1)CN1C(c(cc1)cnc1OC)=O

InChI

InChI=1S/C16H20N4O2/c1-11-8-17-12(2)20(11)14-6-7-19(10-14)16(21)13-4-5-15(22-3)18-9-13/h4-5,8-9,14H,6-7,10H2,1-3H3/t14-/m1/s1

InChI Key

CMIZILQURGXUOW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31964027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.888

Distribution Coefficient, logD

-1.066

Water Solubility, LogSw

-1.38

Polar Surface Area

46.114

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

S694-1542 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 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 S694-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1542?
Check Price and Availability of S694-1542, 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 S694-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1542
  • 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 S694-1542 available by request