SC53-1045 Screening compound: 1-[(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone

SC53-1045 Screening compound: 1-[(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone
SC53-1045 Screening compound: 1-[(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC53-1045
1-[(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone

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

SC53-1045

Molecular Formula

C24H29N5O3 (C24 H29 N5 O3)

Compound Name

1-[(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone

IUPAC name

1-[(3aR7aR)-2-benzyl-3a-(5-methyl-124-oxadiazol-3-yl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-2-(35-dimethyl-12-oxazol-4-yl)ethan-1-one

SMILES

Cc1noc(C)c1CC(N(CC[C@@H]1CN(Cc2ccccc2)C2)C[C@]12c1noc(C)n1)=O

InChI

InChI=1S/C24H29N5O3/c1-16-21(17(2)31-26-16)11-22(30)29-10-9-20-13-28(12-19-7-5-4-6-8-19)14-24(20,15-29)23-25-18(3)32-27-23/h4-8,20H,9-15H2,1-3H3/t20-,24-/m0/s1

InChI Key

AYMYLSGLCXLCFW-RDPSFJRHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

0.073

Water Solubility, LogSw

-2.62

Polar Surface Area

72.930

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

10.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SC53-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC53-1045?
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What is the minimum amount of SC53-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC53-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC53-1045
  • 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 SC53-1045 available by request