S830-1938 Screening compound: 4,4-difluoro-3-(methoxymethyl)-1-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidine

S830-1938 Screening compound: 4,4-difluoro-3-(methoxymethyl)-1-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidine
S830-1938 Screening compound: 4,4-difluoro-3-(methoxymethyl)-1-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-1938
4,4-difluoro-3-(methoxymethyl)-1-{[3-(3-methoxyphenyl)-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

S830-1938

Molecular Formula

C18H23F2N3O2 (C18 H23 F2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COCC(CN(Cc1c[nH]nc1-c1cc(OC)ccc1)CC1)C1(F)F

InChI

InChI=1S/C18H23F2N3O2/c1-24-12-15-11-23(7-6-18(15,19)20)10-14-9-21-22-17(14)13-4-3-5-16(8-13)25-2/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,21,22)/t15-/m1/s1

InChI Key

PRHOYODFBJFVMM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD30468278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

1.049

Water Solubility, LogSw

-3.25

Polar Surface Area

44.062

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S830-1938 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S830-1938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-1938?
Check Price and Availability of S830-1938, 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 S830-1938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-1938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-1938
  • 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 S830-1938 available by request