SC53-0675 Screening compound: 3-[(7aR)-2-benzyl-5-(3-pyridylmethyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3-yl]-5-methyl-1,2,4-oxadiazole

SC53-0675 Screening compound: 3-[(7aR)-2-benzyl-5-(3-pyridylmethyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3-yl]-5-methyl-1,2,4-oxadiazole
SC53-0675 Screening compound: 3-[(7aR)-2-benzyl-5-(3-pyridylmethyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3-yl]-5-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC53-0675
3-[(7aR)-2-benzyl-5-(3-pyridylmethyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3-yl]-5-methyl-1,2,4-oxadiazole

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

SC53-0675

Molecular Formula

C23H27N5O (C23 H27 N5 O)

Compound Name

3-[(7aR)-2-benzyl-5-(3-pyridylmethyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3-yl]-5-methyl-1,2,4-oxadiazole

IUPAC name

3-{[(3aS7aR)-2-benzyl-3a-(5-methyl-124-oxadiazol-3-yl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]methyl}pyridine

SMILES

Cc1nc([C@]2(CN(Cc3ccccc3)C3)[C@@H]3CCN(Cc3cnccc3)C2)no1

InChI

InChI=1S/C23H27N5O/c1-18-25-22(26-29-18)23-16-27(14-20-8-5-10-24-12-20)11-9-21(23)15-28(17-23)13-19-6-3-2-4-7-19/h2-8,10,12,21H,9,11,13-17H2,1H3/t21-,23-/m1/s1

InChI Key

YTLYGUOOPYWACG-FYYLOGMGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.445

Distribution Coefficient, logD

-0.059

Water Solubility, LogSw

-2.01

Polar Surface Area

48.021

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.48

SC53-0675 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC53-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC53-0675?
Check Price and Availability of SC53-0675, 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 SC53-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC53-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC53-0675
  • 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 SC53-0675 available by request