S830-2693 Screening compound: 4,4-difluoro-3-(methoxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidine

S830-2693 Screening compound: 4,4-difluoro-3-(methoxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidine
S830-2693 Screening compound: 4,4-difluoro-3-(methoxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-2693
4,4-difluoro-3-(methoxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]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

S830-2693

Molecular Formula

C17H21F2N3O (C17 H21 F2 N3 O)

Compound Name

4,4-difluoro-3-(methoxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidine

IUPAC name

44-difluoro-3-(methoxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidine

SMILES

COCC(CN(Cc1c[nH]nc1-c1ccccc1)CC1)C1(F)F

InChI

InChI=1S/C17H21F2N3O/c1-23-12-15-11-22(8-7-17(15,18)19)10-14-9-20-21-16(14)13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-12H2,1H3,(H,20,21)/t15-/m1/s1

InChI Key

MIZVOOUPGHOYLU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD30468321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

0.795

Water Solubility, LogSw

-3.09

Polar Surface Area

36.518

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S830-2693 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S830-2693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-2693?
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What is the minimum amount of S830-2693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-2693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-2693
  • 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 S830-2693 available by request