SC53-1035 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]-3-phenyl-1-propanone

SC53-1035 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]-3-phenyl-1-propanone
SC53-1035 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]-3-phenyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC53-1035
1-[(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-phenyl-1-propanone

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

SC53-1035

Molecular Formula

C26H30N4O2 (C26 H30 N4 O2)

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]-3-phenyl-1-propanone

IUPAC name

1-[(3aR7aR)-2-benzyl-3a-(5-methyl-124-oxadiazol-3-yl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-3-phenylpropan-1-one

SMILES

Cc1nc([C@@](CN(Cc2ccccc2)C2)(C3)[C@@H]2CCN3C(CCc2ccccc2)=O)no1

InChI

InChI=1S/C26H30N4O2/c1-20-27-25(28-32-20)26-18-29(16-22-10-6-3-7-11-22)17-23(26)14-15-30(19-26)24(31)13-12-21-8-4-2-5-9-21/h2-11,23H,12-19H2,1H3/t23-,26-/m0/s1

InChI Key

NIFOXVAQYNKYCH-OZXSUGGESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.881

Distribution Coefficient, logD

1.273

Water Solubility, LogSw

-3.86

Polar Surface Area

50.892

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

10.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.31

SC53-1035 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC53-1035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC53-1035?
Check Price and Availability of SC53-1035, 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 SC53-1035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC53-1035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC53-1035
  • 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 SC53-1035 available by request