S620-0357 Screening compound: N-[(3S,4S)-1-[(6-methoxy-2-pyridyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-N,N-dimethylamine

S620-0357 Screening compound: N-[(3S,4S)-1-[(6-methoxy-2-pyridyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-N,N-dimethylamine
S620-0357 Screening compound: N-[(3S,4S)-1-[(6-methoxy-2-pyridyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound S620-0357
N-[(3S,4S)-1-[(6-methoxy-2-pyridyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-N,N-dimethylamine

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

S620-0357

Molecular Formula

C17H26N6O (C17 H26 N6 O)

Compound Name

N-[(3S,4S)-1-[(6-methoxy-2-pyridyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-N,N-dimethylamine

IUPAC name

(3S4S)-1-[(6-methoxypyridin-2-yl)methyl]-NN-dimethyl-4-(3-methyl-1H-124-triazol-5-yl)piperidin-3-amine

SMILES

Cc1n[nH]c([C@H](CCN(Cc2cccc(OC)n2)C2)[C@H]2N(C)C)n1

InChI

InChI=1S/C17H26N6O/c1-12-18-17(21-20-12)14-8-9-23(11-15(14)22(2)3)10-13-6-5-7-16(19-13)24-4/h5-7,14-15H,8-11H2,1-4H3,(H,18,20,21)/t14-,15-/m0/s1

InChI Key

XIURAJKGBAZKGU-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.216

Distribution Coefficient, logD

-0.256

Water Solubility, LogSw

-2.22

Polar Surface Area

55.768

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

S620-0357 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S620-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S620-0357?
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What is the minimum amount of S620-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S620-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S620-0357
  • 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 S620-0357 available by request