S692-0601 Screening compound: 1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-4-phenylbutan-1-one

S692-0601 Screening compound: 1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-4-phenylbutan-1-one
S692-0601 Screening compound: 1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S692-0601
1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-4-phenylbutan-1-one

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

S692-0601

Molecular Formula

C22H29N3O (C22 H29 N3 O)

Compound Name

1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-4-phenylbutan-1-one

IUPAC name

1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-4-phenylbutan-1-one

SMILES

Cc1cnc(C2CC2)n1C(CCC1)CN1C(CCCc1ccccc1)=O

InChI

InChI=1S/C22H29N3O/c1-17-15-23-22(19-12-13-19)25(17)20-10-6-14-24(16-20)21(26)11-5-9-18-7-3-2-4-8-18/h2-4,7-8,15,19-20H,5-6,9-14,16H2,1H3/t20-/m0/s1

InChI Key

KNXUIBHKECUUQA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31993335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

0.416

Water Solubility, LogSw

-3.71

Polar Surface Area

28.113

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

10.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

S692-0601 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 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

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

References: we are preparing a list of scientific research reports with S692-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S692-0601?
Check Price and Availability of S692-0601, 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 S692-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S692-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S692-0601
  • 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 S692-0601 available by request