S620-0343 Screening compound: N-[(3S,4S)-1-(1H-indol-5-ylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-N,N-dimethylamine

S620-0343 Screening compound: N-[(3S,4S)-1-(1H-indol-5-ylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-N,N-dimethylamine
S620-0343 Screening compound: N-[(3S,4S)-1-(1H-indol-5-ylmethyl)-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 S620-0343
N-[(3S,4S)-1-(1H-indol-5-ylmethyl)-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

S620-0343

Molecular Formula

C19H26N6 (C19 H26 N6)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c([C@H](CCN(Cc(cc2)cc3c2[nH]cc3)C2)[C@H]2N(C)C)n1

InChI

InChI=1S/C19H26N6/c1-13-21-19(23-22-13)16-7-9-25(12-18(16)24(2)3)11-14-4-5-17-15(10-14)6-8-20-17/h4-6,8,10,16,18,20H,7,9,11-12H2,1-3H3,(H,21,22,23)/t16-,18+/m1/s1

InChI Key

MYAJPZIAPHTXAK-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.600

Distribution Coefficient, logD

0.087

Water Solubility, LogSw

-2.07

Polar Surface Area

48.994

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.37

S620-0343 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S620-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S620-0343?
Check Price and Availability of S620-0343, 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 S620-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S620-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S620-0343
  • 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 S620-0343 available by request