S697-0580 Screening compound: 3-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}-2,6-dimethoxypyridine

S697-0580 Screening compound: 3-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}-2,6-dimethoxypyridine
S697-0580 Screening compound: 3-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}-2,6-dimethoxypyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S697-0580
3-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}-2,6-dimethoxypyridine

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

S697-0580

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

3-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}-2,6-dimethoxypyridine

IUPAC name

3-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}-26-dimethoxypyridine

SMILES

Cc1cnc(C2CC2)n1CC(CC1)CCN1C(c(ccc(OC)n1)c1OC)=O

InChI

InChI=1S/C21H28N4O3/c1-14-12-22-19(16-4-5-16)25(14)13-15-8-10-24(11-9-15)21(26)17-6-7-18(27-2)23-20(17)28-3/h6-7,12,15-16H,4-5,8-11,13H2,1-3H3

InChI Key

HNKKCCKUHGFOPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31986952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

0.867

Water Solubility, LogSw

-3.47

Polar Surface Area

52.684

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

10.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

S697-0580 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S697-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S697-0580?
Check Price and Availability of S697-0580, 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 S697-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S697-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S697-0580
  • 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 S697-0580 available by request