S697-0330 Screening compound: 3-(4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)-1H-indazole

S697-0330 Screening compound: 3-(4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)-1H-indazole
S697-0330 Screening compound: 3-(4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S697-0330
3-(4-{[5-methyl-2-(oxan-4-yl)-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

S697-0330

Molecular Formula

C23H29N5O2 (C23 H29 N5 O2)

Compound Name

3-(4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)-1H-indazole

IUPAC name

3-(4-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)-1H-indazole

SMILES

Cc1cnc(C2CCOCC2)n1CC(CC1)CCN1C(c1n[nH]c2c1cccc2)=O

InChI

InChI=1S/C23H29N5O2/c1-16-14-24-22(18-8-12-30-13-9-18)28(16)15-17-6-10-27(11-7-17)23(29)21-19-4-2-3-5-20(19)25-26-21/h2-5,14,17-18H,6-13,15H2,1H3,(H,25,26)

InChI Key

GGKZXWMGKKIYPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31964519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.96

Polar Surface Area

59.147

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.17

S697-0330 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S697-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S697-0330?
Check Price and Availability of S697-0330, 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 S697-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S697-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S697-0330
  • 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 S697-0330 available by request