SC54-0424 Screening compound: (3aS,7aR)-5-[(5-methyl-3-isoxazolyl)carbonyl]-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N~2~-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide

SC54-0424 Screening compound: (3aS,7aR)-5-[(5-methyl-3-isoxazolyl)carbonyl]-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N~2~-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
SC54-0424 Screening compound: (3aS,7aR)-5-[(5-methyl-3-isoxazolyl)carbonyl]-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N~2~-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC54-0424
(3aS,7aR)-5-[(5-methyl-3-isoxazolyl)carbonyl]-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N~2~-propyloctahydro-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

SC54-0424

Molecular Formula

C19H26N6O4 (C19 H26 N6 O4)

Compound Name

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

IUPAC name

(3aS7aR)-5-(5-methyl-12-oxazole-3-carbonyl)-7a-(5-methyl-134-oxadiazol-2-yl)-N-propyl-octahydro-1H-pyrrolo[34-c]pyridine-2-carboxamide

SMILES

CCCNC(N(C[C@H]1CN(CC2)C(c3noc(C)c3)=O)C[C@]12c1nnc(C)o1)=O

InChI

InChI=1S/C19H26N6O4/c1-4-6-20-18(27)25-10-14-9-24(16(26)15-8-12(2)29-23-15)7-5-19(14,11-25)17-22-21-13(3)28-17/h8,14H,4-7,9-11H2,1-3H3,(H,20,27)/t14-,19+/m0/s1

InChI Key

NNFCXBXGWUJBQR-IFXJQAMLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

1.215

Water Solubility, LogSw

-2.04

Polar Surface Area

94.658

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.16

References: we are preparing a list of scientific research reports with SC54-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC54-0424?
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What is the minimum amount of SC54-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC54-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC54-0424
  • 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 SC54-0424 available by request