S829-1737 Screening compound: 2-CYCLOPROPYL-1-{4-[4,4-DIFLUORO-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]PIPERIDIN-1-YL}ETHAN-1-ONE

S829-1737 Screening compound: 2-CYCLOPROPYL-1-{4-[4,4-DIFLUORO-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]PIPERIDIN-1-YL}ETHAN-1-ONE
S829-1737 Screening compound: 2-CYCLOPROPYL-1-{4-[4,4-DIFLUORO-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]PIPERIDIN-1-YL}ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-1737
2-CYCLOPROPYL-1-{4-[4,4-DIFLUORO-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]PIPERIDIN-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

S829-1737

Molecular Formula

C15H24F2N2O2 (C15 H24 F2 N2 O2)

Compound Name

2-CYCLOPROPYL-1-{4-[4,4-DIFLUORO-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]PIPERIDIN-1-YL}ETHAN-1-ONE

IUPAC name

n/a

SMILES

OC[C@H](CC(C1)(F)F)N1C(CC1)CCN1C(CC1CC1)=O

InChI

InChI=1S/C15H24F2N2O2/c16-15(17)8-13(9-20)19(10-15)12-3-5-18(6-4-12)14(21)7-11-1-2-11/h11-13,20H,1-10H2/t13-/m1/s1

InChI Key

CRFLXBGTCSHRID-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.449

Distribution Coefficient, logD

1.330

Water Solubility, LogSw

-1.32

Polar Surface Area

37.037

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

93.30

S829-1737 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S829-1737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-1737?
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What is the minimum amount of S829-1737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-1737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-1737
  • 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 S829-1737 available by request