S697-0679 Screening compound: 1-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one

S697-0679 Screening compound: 1-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
S697-0679 Screening compound: 1-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S697-0679
1-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-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

S697-0679

Molecular Formula

C22H33N5O (C22 H33 N5 O)

Compound Name

1-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one

IUPAC name

1-{4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-3-(135-trimethyl-1H-pyrazol-4-yl)propan-1-one

SMILES

Cc1cnc(C2CC2)n1CC(CC1)CCN1C(CCc1c(C)n(C)nc1C)=O

InChI

InChI=1S/C22H33N5O/c1-15-13-23-22(19-5-6-19)27(15)14-18-9-11-26(12-10-18)21(28)8-7-20-16(2)24-25(4)17(20)3/h13,18-19H,5-12,14H2,1-4H3

InChI Key

KAWUDHAEDDETKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31997110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.211

Distribution Coefficient, logD

-0.521

Water Solubility, LogSw

-1.94

Polar Surface Area

42.635

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

10.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.18

S697-0679 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S697-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S697-0679?
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What is the minimum amount of S697-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S697-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S697-0679
  • 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 S697-0679 available by request