S070-0586 Screening compound: {1-[(3-bromo-4-methoxyphenyl)methyl]-4-(dimethylamino)piperidin-3-yl}methanol

S070-0586 Screening compound: {1-[(3-bromo-4-methoxyphenyl)methyl]-4-(dimethylamino)piperidin-3-yl}methanol
S070-0586 Screening compound: {1-[(3-bromo-4-methoxyphenyl)methyl]-4-(dimethylamino)piperidin-3-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S070-0586
{1-[(3-bromo-4-methoxyphenyl)methyl]-4-(dimethylamino)piperidin-3-yl}methanol

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

S070-0586

Molecular Formula

C16H25BrN2O2 (C16 H25 BrN2 O2)

Compound Name

{1-[(3-bromo-4-methoxyphenyl)methyl]-4-(dimethylamino)piperidin-3-yl}methanol

IUPAC name

[(3S4R)-1-[(3-bromo-4-methoxyphenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol

SMILES

CN(C)[C@@H]1[C@H](CO)CN(Cc(cc2)cc(Br)c2OC)CC1

InChI

InChI=1S/C16H25BrN2O2/c1-18(2)15-6-7-19(10-13(15)11-20)9-12-4-5-16(21-3)14(17)8-12/h4-5,8,13,15,20H,6-7,9-11H2,1-3H3/t13-,15+/m0/s1

InChI Key

GPHGHRKTAIXOQY-DZGCQCFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.29

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

1.649

Distribution Coefficient, logD

-0.339

Water Solubility, LogSw

-2.07

Polar Surface Area

30.561

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

S070-0586 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S070-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S070-0586?
Check Price and Availability of S070-0586, 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 S070-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S070-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S070-0586
  • 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 S070-0586 available by request