S976-1329 Screening compound: 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-fluoro-N-(2-methoxyethyl)piperidine-3-carboxamide

S976-1329 Screening compound: 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-fluoro-N-(2-methoxyethyl)piperidine-3-carboxamide
S976-1329 Screening compound: 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-fluoro-N-(2-methoxyethyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-1329
1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-fluoro-N-(2-methoxyethyl)piperidine-3-carboxamide

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

S976-1329

Molecular Formula

C15H23FN4O3 (C15 H23 FN4 O3)

Compound Name

1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-fluoro-N-(2-methoxyethyl)piperidine-3-carboxamide

IUPAC name

1-(13-dimethyl-1H-pyrazole-5-carbonyl)-3-fluoro-N-(2-methoxyethyl)piperidine-3-carboxamide

SMILES

Cc1nn(C)c(C(N(CCC2)CC2(C(NCCOC)=O)F)=O)c1

InChI

InChI=1S/C15H23FN4O3/c1-11-9-12(19(2)18-11)13(21)20-7-4-5-15(16,10-20)14(22)17-6-8-23-3/h9H,4-8,10H2,1-3H3,(H,17,22)/t15-/m0/s1

InChI Key

LKMXHNISSDWPPX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32232084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.291

Distribution Coefficient, logD

-0.291

Water Solubility, LogSw

-1.12

Polar Surface Area

63.011

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S976-1329 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S976-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-1329?
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What is the minimum amount of S976-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-1329
  • 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 S976-1329 available by request