S722-2087 Screening compound: N-(cyclopropylmethyl)-2,6-dimethoxy-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)pyridine-3-carboxamide

S722-2087 Screening compound: N-(cyclopropylmethyl)-2,6-dimethoxy-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)pyridine-3-carboxamide
S722-2087 Screening compound: N-(cyclopropylmethyl)-2,6-dimethoxy-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-2087
N-(cyclopropylmethyl)-2,6-dimethoxy-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)pyridine-3-carboxamide

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

S722-2087

Molecular Formula

C26H35N3O3 (C26 H35 N3 O3)

Compound Name

N-(cyclopropylmethyl)-2,6-dimethoxy-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)pyridine-3-carboxamide

IUPAC name

N-(cyclopropylmethyl)-26-dimethoxy-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)pyridine-3-carboxamide

SMILES

CN1CCC(Cc2ccc(CN(CC3CC3)C(c(ccc(OC)n3)c3OC)=O)cc2)CC1

InChI

InChI=1S/C26H35N3O3/c1-28-14-12-20(13-15-28)16-19-4-6-21(7-5-19)17-29(18-22-8-9-22)26(30)23-10-11-24(31-2)27-25(23)32-3/h4-7,10-11,20,22H,8-9,12-18H2,1-3H3

InChI Key

FKVBOLABIOMBOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31981321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

2.515

Water Solubility, LogSw

-4.41

Polar Surface Area

44.460

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.85

S722-2087 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S722-2087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-2087?
Check Price and Availability of S722-2087, 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 S722-2087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-2087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-2087
  • 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 S722-2087 available by request