SC54-0396 Screening compound: (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N~2~-propyl-5-(4-pyridylcarbonyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide

SC54-0396 Screening compound: (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N~2~-propyl-5-(4-pyridylcarbonyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
SC54-0396 Screening compound: (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N~2~-propyl-5-(4-pyridylcarbonyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC54-0396
(3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N~2~-propyl-5-(4-pyridylcarbonyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide

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

SC54-0396

Molecular Formula

C20H26N6O3 (C20 H26 N6 O3)

Compound Name

(3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N~2~-propyl-5-(4-pyridylcarbonyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide

IUPAC name

(3aS7aR)-7a-(5-methyl-134-oxadiazol-2-yl)-N-propyl-5-(pyridine-4-carbonyl)-octahydro-1H-pyrrolo[34-c]pyridine-2-carboxamide

SMILES

CCCNC(N(C[C@H]1CN(CC2)C(c3ccncc3)=O)C[C@]12c1nnc(C)o1)=O

InChI

InChI=1S/C20H26N6O3/c1-3-7-22-19(28)26-12-16-11-25(17(27)15-4-8-21-9-5-15)10-6-20(16,13-26)18-24-23-14(2)29-18/h4-5,8-9,16H,3,6-7,10-13H2,1-2H3,(H,22,28)/t16-,20+/m0/s1

InChI Key

LMDQIRMTTOVBNN-OXJNMPFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.398

Distribution Coefficient, logD

0.396

Water Solubility, LogSw

-1.22

Polar Surface Area

82.858

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

SC54-0396 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC54-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC54-0396?
Check Price and Availability of SC54-0396, 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 SC54-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC54-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC54-0396
  • 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 SC54-0396 available by request