S980-0197 Screening compound: 2-(2-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-5-methyl-1H-imidazol-1-yl)propan-1-ol

S980-0197 Screening compound: 2-(2-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-5-methyl-1H-imidazol-1-yl)propan-1-ol
S980-0197 Screening compound: 2-(2-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-5-methyl-1H-imidazol-1-yl)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S980-0197
2-(2-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-5-methyl-1H-imidazol-1-yl)propan-1-ol

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

S980-0197

Molecular Formula

C20H33N5O (C20 H33 N5 O)

Compound Name

2-(2-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-5-methyl-1H-imidazol-1-yl)propan-1-ol

IUPAC name

(2R)-2-(2-{1-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-5-methyl-1H-imidazol-1-yl)propan-1-ol

SMILES

CCn1nc(C)c(CN(CC2)CCC2c2ncc(C)n2[C@H](C)CO)c1C

InChI

InChI=1S/C20H33N5O/c1-6-24-17(5)19(16(4)22-24)12-23-9-7-18(8-10-23)20-21-11-14(2)25(20)15(3)13-26/h11,15,18,26H,6-10,12-13H2,1-5H3/t15-/m1/s1

InChI Key

LHDBCBCYNHOPQP-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.407

Distribution Coefficient, logD

-4.141

Water Solubility, LogSw

-0.81

Polar Surface Area

47.209

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

12.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

S980-0197 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S980-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S980-0197?
Check Price and Availability of S980-0197, 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 S980-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S980-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S980-0197
  • 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 S980-0197 available by request