S761-0322 Screening compound: (2S,3R)-1-benzyl-2-(methoxymethyl)-N~3~-methyl-N~3~-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]hexahydro-3-pyridinecarboxamide

S761-0322 Screening compound: (2S,3R)-1-benzyl-2-(methoxymethyl)-N~3~-methyl-N~3~-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]hexahydro-3-pyridinecarboxamide
S761-0322 Screening compound: (2S,3R)-1-benzyl-2-(methoxymethyl)-N~3~-methyl-N~3~-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]hexahydro-3-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S761-0322
(2S,3R)-1-benzyl-2-(methoxymethyl)-N~3~-methyl-N~3~-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]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

S761-0322

Molecular Formula

C25H38N4O2 (C25 H38 N4 O2)

Compound Name

(2S,3R)-1-benzyl-2-(methoxymethyl)-N~3~-methyl-N~3~-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]hexahydro-3-pyridinecarboxamide

IUPAC name

(2S3R)-1-benzyl-2-(methoxymethyl)-N-methyl-N-[3-(135-trimethyl-1H-pyrazol-4-yl)propyl]piperidine-3-carboxamide

SMILES

Cc1c(CCCN(C)C([C@@H]2[C@H](COC)N(Cc3ccccc3)CCC2)=O)c(C)nn1C

InChI

InChI=1S/C25H38N4O2/c1-19-22(20(2)28(4)26-19)13-9-15-27(3)25(30)23-14-10-16-29(24(23)18-31-5)17-21-11-7-6-8-12-21/h6-8,11-12,23-24H,9-10,13-18H2,1-5H3/t23-,24-/m0/s1

InChI Key

QQRVYSIQYUWOBD-ZEQRLZLVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.748

Distribution Coefficient, logD

1.511

Water Solubility, LogSw

-2.66

Polar Surface Area

42.999

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S761-0322 in Drug Discovery

Included in Screening Libraries

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 S761-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S761-0322?
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What is the minimum amount of S761-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S761-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S761-0322
  • 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 S761-0322 available by request