S620-0354 Screening compound: N-[(3S,4S)-1-(cyclohexylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-N,N-dimethylamine

S620-0354 Screening compound: N-[(3S,4S)-1-(cyclohexylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-N,N-dimethylamine
S620-0354 Screening compound: N-[(3S,4S)-1-(cyclohexylmethyl)-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 S620-0354
N-[(3S,4S)-1-(cyclohexylmethyl)-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

S620-0354

Molecular Formula

C17H31N5 (C17 H31 N5)

Compound Name

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

IUPAC name

(3S4S)-1-(cyclohexylmethyl)-NN-dimethyl-4-(3-methyl-1H-124-triazol-5-yl)piperidin-3-amine

SMILES

Cc1n[nH]c([C@H](CCN(CC2CCCCC2)C2)[C@H]2N(C)C)n1

InChI

InChI=1S/C17H31N5/c1-13-18-17(20-19-13)15-9-10-22(12-16(15)21(2)3)11-14-7-5-4-6-8-14/h14-16H,4-12H2,1-3H3,(H,18,19,20)/t15-,16+/m1/s1

InChI Key

LQXXSVZPBLNBOQ-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

1.103

Water Solubility, LogSw

-2.76

Polar Surface Area

39.405

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

88.24

S620-0354 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S620-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S620-0354?
Check Price and Availability of S620-0354, 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 S620-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S620-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S620-0354
  • 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 S620-0354 available by request