S830-2749 Screening compound: 4,4-difluoro-3-(methoxymethyl)-1-(3-methyl-1H-pyrazole-5-carbonyl)piperidine

S830-2749 Screening compound: 4,4-difluoro-3-(methoxymethyl)-1-(3-methyl-1H-pyrazole-5-carbonyl)piperidine
S830-2749 Screening compound: 4,4-difluoro-3-(methoxymethyl)-1-(3-methyl-1H-pyrazole-5-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-2749
4,4-difluoro-3-(methoxymethyl)-1-(3-methyl-1H-pyrazole-5-carbonyl)piperidine

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

S830-2749

Molecular Formula

C12H17F2N3O2 (C12 H17 F2 N3 O2)

Compound Name

4,4-difluoro-3-(methoxymethyl)-1-(3-methyl-1H-pyrazole-5-carbonyl)piperidine

IUPAC name

44-difluoro-3-(methoxymethyl)-1-(3-methyl-1H-pyrazole-5-carbonyl)piperidine

SMILES

Cc1n[nH]c(C(N(CC2)CC(COC)C2(F)F)=O)c1

InChI

InChI=1S/C12H17F2N3O2/c1-8-5-10(16-15-8)11(18)17-4-3-12(13,14)9(6-17)7-19-2/h5,9H,3-4,6-7H2,1-2H3,(H,15,16)/t9-/m1/s1

InChI Key

VNMIVMSLEGDNLR-SECBINFHSA-N

MDL Number (MFCD)

MFCD30468332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.324

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-1.80

Polar Surface Area

47.812

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S830-2749 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S830-2749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-2749?
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What is the minimum amount of S830-2749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-2749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-2749
  • 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 S830-2749 available by request