S829-2244 Screening compound: {4-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]PIPERIDINO}(4-METHYL-1,3-OXAZOL-5-YL)METHANONE

S829-2244 Screening compound: {4-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]PIPERIDINO}(4-METHYL-1,3-OXAZOL-5-YL)METHANONE
S829-2244 Screening compound: {4-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]PIPERIDINO}(4-METHYL-1,3-OXAZOL-5-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-2244
{4-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]PIPERIDINO}(4-METHYL-1,3-OXAZOL-5-YL)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

S829-2244

Molecular Formula

C15H21F2N3O3 (C15 H21 F2 N3 O3)

Compound Name

{4-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]PIPERIDINO}(4-METHYL-1,3-OXAZOL-5-YL)METHANONE

IUPAC name

n/a

SMILES

Cc1c(C(N(CC2)CCC2N(C2)[C@H](CO)CC2(F)F)=O)ocn1

InChI

InChI=1S/C15H21F2N3O3/c1-10-13(23-9-18-10)14(22)19-4-2-11(3-5-19)20-8-15(16,17)6-12(20)7-21/h9,11-12,21H,2-8H2,1H3/t12-/m1/s1

InChI Key

HAEUYCCMTMZTSC-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.761

Distribution Coefficient, logD

0.667

Water Solubility, LogSw

-0.96

Polar Surface Area

55.955

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

S829-2244 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S829-2244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-2244?
Check Price and Availability of S829-2244, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S829-2244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-2244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-2244
  • 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 S829-2244 available by request