S698-1977 Screening compound: 4-(2,5-dimethyl-1H-imidazol-1-yl)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine

S698-1977 Screening compound: 4-(2,5-dimethyl-1H-imidazol-1-yl)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine
S698-1977 Screening compound: 4-(2,5-dimethyl-1H-imidazol-1-yl)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-1977
4-(2,5-dimethyl-1H-imidazol-1-yl)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine

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

S698-1977

Molecular Formula

C16H23N5O (C16 H23 N5 O)

Compound Name

4-(2,5-dimethyl-1H-imidazol-1-yl)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidine

IUPAC name

4-(25-dimethyl-1H-imidazol-1-yl)-1-(15-dimethyl-1H-pyrazole-3-carbonyl)piperidine

SMILES

Cc1cc(C(N(CC2)CCC2n2c(C)ncc2C)=O)nn1C

InChI

InChI=1S/C16H23N5O/c1-11-9-15(18-19(11)4)16(22)20-7-5-14(6-8-20)21-12(2)10-17-13(21)3/h9-10,14H,5-8H2,1-4H3

InChI Key

KFQKPJYIQKYSSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31976643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.741

Distribution Coefficient, logD

-1.167

Water Solubility, LogSw

-1.27

Polar Surface Area

43.719

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

S698-1977 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S698-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-1977?
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What is the minimum amount of S698-1977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-1977
  • 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 S698-1977 available by request