S620-0326 Screening compound: N,N-dimethyl-N-[(3S,4S)-1-(2-methylbenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]amine

S620-0326 Screening compound: N,N-dimethyl-N-[(3S,4S)-1-(2-methylbenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]amine
S620-0326 Screening compound: N,N-dimethyl-N-[(3S,4S)-1-(2-methylbenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S620-0326
N,N-dimethyl-N-[(3S,4S)-1-(2-methylbenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]amine

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

S620-0326

Molecular Formula

C18H27N5 (C18 H27 N5)

Compound Name

N,N-dimethyl-N-[(3S,4S)-1-(2-methylbenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]amine

IUPAC name

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

SMILES

Cc1n[nH]c([C@H](CCN(Cc2c(C)cccc2)C2)[C@H]2N(C)C)n1

InChI

InChI=1S/C18H27N5/c1-13-7-5-6-8-15(13)11-23-10-9-16(17(12-23)22(3)4)18-19-14(2)20-21-18/h5-8,16-17H,9-12H2,1-4H3,(H,19,20,21)/t16-,17+/m1/s1

InChI Key

KBARQLKQSDDWSC-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.45

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

2.281

Distribution Coefficient, logD

0.767

Water Solubility, LogSw

-2.57

Polar Surface Area

39.213

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with S620-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S620-0326?
Check Price and Availability of S620-0326, 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 S620-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S620-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S620-0326
  • 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 S620-0326 available by request