S829-2344 Screening compound: 1-{4-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one

S829-2344 Screening compound: 1-{4-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
S829-2344 Screening compound: 1-{4-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-2344
1-{4-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-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

S829-2344

Molecular Formula

C16H24F2N4O2 (C16 H24 F2 N4 O2)

Compound Name

1-{4-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one

IUPAC name

1-{4-[(2S)-44-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc1cn(CC(N(CC2)CCC2N(C2)[C@H](CO)CC2(F)F)=O)nc1

InChI

InChI=1S/C16H24F2N4O2/c1-12-7-19-21(8-12)9-15(24)20-4-2-13(3-5-20)22-11-16(17,18)6-14(22)10-23/h7-8,13-14,23H,2-6,9-11H2,1H3/t14-/m1/s1

InChI Key

DLFXIYALLFBJGJ-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.618

Distribution Coefficient, logD

0.500

Water Solubility, LogSw

-0.55

Polar Surface Area

51.291

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S829-2344 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S829-2344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-2344?
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What is the minimum amount of S829-2344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-2344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-2344
  • 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 S829-2344 available by request