S607-0454 Screening compound: 3-[1-(2-methoxyethyl)-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

S607-0454 Screening compound: 3-[1-(2-methoxyethyl)-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
S607-0454 Screening compound: 3-[1-(2-methoxyethyl)-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S607-0454
3-[1-(2-methoxyethyl)-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-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

S607-0454

Molecular Formula

C23H29N5O4 (C23 H29 N5 O4)

Compound Name

3-[1-(2-methoxyethyl)-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

IUPAC name

(3S)-3-[1-(2-methoxyethyl)-2-oxo-1H2H3H-imidazo[45-b]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

SMILES

COCCN(c1c(N2[C@@H](CCC3)CN3C(NCc(cc3)ccc3OC)=O)nccc1)C2=O

InChI

InChI=1S/C23H29N5O4/c1-31-14-13-27-20-6-3-11-24-21(20)28(23(27)30)18-5-4-12-26(16-18)22(29)25-15-17-7-9-19(32-2)10-8-17/h3,6-11,18H,4-5,12-16H2,1-2H3,(H,25,29)/t18-/m0/s1

InChI Key

BKZWAJOPZOKLMA-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.937

Distribution Coefficient, logD

1.937

Water Solubility, LogSw

-2.23

Polar Surface Area

70.070

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

S607-0454 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S607-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S607-0454?
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What is the minimum amount of S607-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S607-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S607-0454
  • 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 S607-0454 available by request