S980-0198 Screening compound: 2-[5-methyl-2-(1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)-1H-imidazol-1-yl]propan-1-ol

S980-0198 Screening compound: 2-[5-methyl-2-(1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)-1H-imidazol-1-yl]propan-1-ol
S980-0198 Screening compound: 2-[5-methyl-2-(1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)-1H-imidazol-1-yl]propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S980-0198
2-[5-methyl-2-(1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)-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

S980-0198

Molecular Formula

C19H31N5O (C19 H31 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1ncc(CN(CC2)CCC2c2ncc(C)n2[C@H](C)CO)c1

InChI

InChI=1S/C19H31N5O/c1-14(2)23-12-17(10-21-23)11-22-7-5-18(6-8-22)19-20-9-15(3)24(19)16(4)13-25/h9-10,12,14,16,18,25H,5-8,11,13H2,1-4H3/t16-/m1/s1

InChI Key

MWYBRHFMWWXSDC-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.49

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

1.440

Distribution Coefficient, logD

-5.257

Water Solubility, LogSw

-0.87

Polar Surface Area

47.892

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

14.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

S980-0198 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S980-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S980-0198?
Check Price and Availability of S980-0198, 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 S980-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S980-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S980-0198
  • 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 S980-0198 available by request