S070-0635 Screening compound: [(3S,4R)-1-(4-bromo-2-fluorobenzyl)-4-(dimethylamino)hexahydro-3-pyridinyl]methanol

S070-0635 Screening compound: [(3S,4R)-1-(4-bromo-2-fluorobenzyl)-4-(dimethylamino)hexahydro-3-pyridinyl]methanol
S070-0635 Screening compound: [(3S,4R)-1-(4-bromo-2-fluorobenzyl)-4-(dimethylamino)hexahydro-3-pyridinyl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S070-0635
[(3S,4R)-1-(4-bromo-2-fluorobenzyl)-4-(dimethylamino)hexahydro-3-pyridinyl]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

S070-0635

Molecular Formula

C15H22BrFN2O (C15 H22 BrFN2 O)

Compound Name

[(3S,4R)-1-(4-bromo-2-fluorobenzyl)-4-(dimethylamino)hexahydro-3-pyridinyl]methanol

IUPAC name

[(3S4R)-1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol

SMILES

CN(C)[C@@H]1[C@H](CO)CN(Cc(ccc(Br)c2)c2F)CC1

InChI

InChI=1S/C15H22BrFN2O/c1-18(2)15-5-6-19(9-12(15)10-20)8-11-3-4-13(16)7-14(11)17/h3-4,7,12,15,20H,5-6,8-10H2,1-2H3/t12-,15+/m0/s1

InChI Key

CMVKQCLCMPRNBN-SWLSCSKDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

0.274

Water Solubility, LogSw

-2.11

Polar Surface Area

22.931

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S070-0635 in Drug Discovery

Included in Screening Libraries

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

3D Mimetics PPI Library (1617 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S070-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S070-0635?
Check Price and Availability of S070-0635, 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 S070-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S070-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S070-0635
  • 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 S070-0635 available by request