S761-0135 Screening compound: (2S,3R)-2-(methoxymethyl)-1-methyl-N-[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]hexahydro-3-pyridinecarboxamide

S761-0135 Screening compound: (2S,3R)-2-(methoxymethyl)-1-methyl-N-[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]hexahydro-3-pyridinecarboxamide
S761-0135 Screening compound: (2S,3R)-2-(methoxymethyl)-1-methyl-N-[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]hexahydro-3-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S761-0135
(2S,3R)-2-(methoxymethyl)-1-methyl-N-[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]hexahydro-3-pyridinecarboxamide

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

S761-0135

Molecular Formula

C18H26N4O2 (C18 H26 N4 O2)

Compound Name

(2S,3R)-2-(methoxymethyl)-1-methyl-N-[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]hexahydro-3-pyridinecarboxamide

IUPAC name

(2S3R)-2-(methoxymethyl)-1-methyl-N-[(1-methyl-1H-13-benzodiazol-2-yl)methyl]piperidine-3-carboxamide

SMILES

Cn1c(cccc2)c2nc1CNC([C@@H]1[C@H](COC)N(C)CCC1)=O

InChI

InChI=1S/C18H26N4O2/c1-21-10-6-7-13(16(21)12-24-3)18(23)19-11-17-20-14-8-4-5-9-15(14)22(17)2/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3,(H,19,23)/t13-,16-/m0/s1

InChI Key

WPYQGLDDZUPVHG-BBRMVZONSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.754

Distribution Coefficient, logD

-0.456

Water Solubility, LogSw

-1.86

Polar Surface Area

48.417

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S761-0135 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S761-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S761-0135?
Check Price and Availability of S761-0135, 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 S761-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S761-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S761-0135
  • 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 S761-0135 available by request