S698-1305 Screening compound: 4-(1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-4-yl}-5-methyl-1H-imidazol-2-yl)pyridine

S698-1305 Screening compound: 4-(1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-4-yl}-5-methyl-1H-imidazol-2-yl)pyridine
S698-1305 Screening compound: 4-(1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-4-yl}-5-methyl-1H-imidazol-2-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-1305
4-(1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-4-yl}-5-methyl-1H-imidazol-2-yl)pyridine

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

S698-1305

Molecular Formula

C25H28N4O2 (C25 H28 N4 O2)

Compound Name

4-(1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-4-yl}-5-methyl-1H-imidazol-2-yl)pyridine

IUPAC name

4-(1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-4-yl}-5-methyl-1H-imidazol-2-yl)pyridine

SMILES

Cc1cnc(-c2ccncc2)n1C(CC1)CCN1C(C1(CC1)c(cc1)ccc1OC)=O

InChI

InChI=1S/C25H28N4O2/c1-18-17-27-23(19-7-13-26-14-8-19)29(18)21-9-15-28(16-10-21)24(30)25(11-12-25)20-3-5-22(31-2)6-4-20/h3-8,13-14,17,21H,9-12,15-16H2,1-2H3

InChI Key

WHZWZRPPOYWIFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31964893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-2.69

Polar Surface Area

45.408

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S698-1305 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 S698-1305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-1305?
Check Price and Availability of S698-1305, 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 S698-1305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-1305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-1305
  • 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 S698-1305 available by request