S693-0549 Screening compound: 3-{3-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}-1H-indazole

S693-0549 Screening compound: 3-{3-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}-1H-indazole
S693-0549 Screening compound: 3-{3-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0549
3-{3-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine-1-carbonyl}-1H-indazole

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

S693-0549

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(C2CC2)n1CC(CCC1)CN1C(c1n[nH]c2c1cccc2)=O

InChI

InChI=1S/C21H25N5O/c1-14-11-22-20(16-8-9-16)26(14)13-15-5-4-10-25(12-15)21(27)19-17-6-2-3-7-18(17)23-24-19/h2-3,6-7,11,15-16H,4-5,8-10,12-13H2,1H3,(H,23,24)/t15-/m0/s1

InChI Key

RYTZMANZGXUJJY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31965795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

0.090

Water Solubility, LogSw

-3.23

Polar Surface Area

51.503

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

10.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

S693-0549 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S693-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0549?
Check Price and Availability of S693-0549, 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 S693-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0549
  • 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 S693-0549 available by request