SC53-0670 Screening compound: [(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,5-dimethyl-3-furyl)methanone

SC53-0670 Screening compound: [(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,5-dimethyl-3-furyl)methanone
SC53-0670 Screening compound: [(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,5-dimethyl-3-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC53-0670
[(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,5-dimethyl-3-furyl)methanone

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

SC53-0670

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

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

IUPAC name

3-[(3aR7aR)-2-benzyl-5-(25-dimethylfuran-3-carbonyl)-octahydro-1H-pyrrolo[34-c]pyridin-3a-yl]-5-methyl-124-oxadiazole

SMILES

Cc1cc(C(N(CC[C@@H]2CN(Cc3ccccc3)C3)C[C@]23c2noc(C)n2)=O)c(C)o1

InChI

InChI=1S/C24H28N4O3/c1-16-11-21(17(2)30-16)22(29)28-10-9-20-13-27(12-19-7-5-4-6-8-19)14-24(20,15-28)23-25-18(3)31-26-23/h4-8,11,20H,9-10,12-15H2,1-3H3/t20-,24-/m0/s1

InChI Key

LALLWXXDCBNPHE-RDPSFJRHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.207

Distribution Coefficient, logD

0.657

Water Solubility, LogSw

-3.30

Polar Surface Area

59.166

Acid Dissociation Constant (pKa)

25.69

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.83

References: we are preparing a list of scientific research reports with SC53-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC53-0670?
Check Price and Availability of SC53-0670, 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 SC53-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC53-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC53-0670
  • 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 SC53-0670 available by request