S692-2003 Screening compound: 1-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one

S692-2003 Screening compound: 1-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
S692-2003 Screening compound: 1-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S692-2003
1-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-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

S692-2003

Molecular Formula

C21H31N5O (C21 H31 N5 O)

Compound Name

1-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one

IUPAC name

1-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-3-(35-dimethyl-1H-pyrazol-1-yl)propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(CCC1)CC1n1c(C2CCC2)ncc1C)=O

InChI

InChI=1S/C21H31N5O/c1-15-12-16(2)25(23-15)11-9-20(27)24-10-5-8-19(14-24)26-17(3)13-22-21(26)18-6-4-7-18/h12-13,18-19H,4-11,14H2,1-3H3/t19-/m0/s1

InChI Key

PDRIAKOKADDUOW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31995999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.096

Distribution Coefficient, logD

-1.321

Water Solubility, LogSw

-1.60

Polar Surface Area

42.099

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

9.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S692-2003 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S692-2003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S692-2003?
Check Price and Availability of S692-2003, 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 S692-2003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S692-2003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S692-2003
  • 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 S692-2003 available by request