S829-1526 Screening compound: 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-3-methoxy-1-propanone

S829-1526 Screening compound: 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-3-methoxy-1-propanone
S829-1526 Screening compound: 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-3-methoxy-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-1526
1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-3-methoxy-1-propanone

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

S829-1526

Molecular Formula

C14H24F2N2O3 (C14 H24 F2 N2 O3)

Compound Name

1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-3-methoxy-1-propanone

IUPAC name

1-{4-[(2S)-44-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-3-methoxypropan-1-one

SMILES

COCCC(N(CC1)CCC1N(C1)[C@H](CO)CC1(F)F)=O

InChI

InChI=1S/C14H24F2N2O3/c1-21-7-4-13(20)17-5-2-11(3-6-17)18-10-14(15,16)8-12(18)9-19/h11-12,19H,2-10H2,1H3/t12-/m1/s1

InChI Key

QGBODUSBMRHXBT-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.413

Distribution Coefficient, logD

0.294

Water Solubility, LogSw

-0.51

Polar Surface Area

45.128

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.86

References: we are preparing a list of scientific research reports with S829-1526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-1526?
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What is the minimum amount of S829-1526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-1526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-1526
  • 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 S829-1526 available by request