S829-1566 Screening compound: {4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(5-methyl-3-pyridyl)methanone

S829-1566 Screening compound: {4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(5-methyl-3-pyridyl)methanone
S829-1566 Screening compound: {4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(5-methyl-3-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-1566
{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(5-methyl-3-pyridyl)methanone

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

S829-1566

Molecular Formula

C17H23F2N3O2 (C17 H23 F2 N3 O2)

Compound Name

{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(5-methyl-3-pyridyl)methanone

IUPAC name

[(2S)-44-difluoro-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidin-2-yl]methanol

SMILES

Cc1cc(C(N(CC2)CCC2N(C2)[C@H](CO)CC2(F)F)=O)cnc1

InChI

InChI=1S/C17H23F2N3O2/c1-12-6-13(9-20-8-12)16(24)21-4-2-14(3-5-21)22-11-17(18,19)7-15(22)10-23/h6,8-9,14-15,23H,2-5,7,10-11H2,1H3/t15-/m1/s1

InChI Key

LXWUXABRGOTHQS-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.196

Distribution Coefficient, logD

1.102

Water Solubility, LogSw

-1.39

Polar Surface Area

46.648

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

References: we are preparing a list of scientific research reports with S829-1566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-1566?
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What is the minimum amount of S829-1566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-1566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-1566
  • 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 S829-1566 available by request