S070-0628 Screening compound: [(3S,4R)-1-(5-bromo-2-fluorobenzyl)-4-(dimethylamino)hexahydro-3-pyridinyl]methanol

S070-0628 Screening compound: [(3S,4R)-1-(5-bromo-2-fluorobenzyl)-4-(dimethylamino)hexahydro-3-pyridinyl]methanol
S070-0628 Screening compound: [(3S,4R)-1-(5-bromo-2-fluorobenzyl)-4-(dimethylamino)hexahydro-3-pyridinyl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S070-0628
[(3S,4R)-1-(5-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

S070-0628

Molecular Formula

C15H22BrFN2O (C15 H22 BrFN2 O)

Compound Name

[(3S,4R)-1-(5-bromo-2-fluorobenzyl)-4-(dimethylamino)hexahydro-3-pyridinyl]methanol

IUPAC name

n/a

SMILES

CN(C)[C@@H]1[C@H](CO)CN(Cc(cc(cc2)Br)c2F)CC1

InChI

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

InChI Key

STKURALXXSNABR-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

2.191

Distribution Coefficient, logD

0.203

Water Solubility, LogSw

-2.06

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

S070-0628 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S070-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S070-0628?
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What is the minimum amount of S070-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S070-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S070-0628
  • 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 S070-0628 available by request