SC53-1026 Screening compound: [(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone

SC53-1026 Screening compound: [(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone
SC53-1026 Screening compound: [(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC53-1026
[(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)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

SC53-1026

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

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

IUPAC name

3-[(3aR7aR)-2-benzyl-5-(13-thiazole-4-carbonyl)-octahydro-1H-pyrrolo[34-c]pyridin-3a-yl]-5-methyl-124-oxadiazole

SMILES

Cc1nc([C@@](CN(Cc2ccccc2)C2)(C3)[C@@H]2CCN3C(c2cscn2)=O)no1

InChI

InChI=1S/C21H23N5O2S/c1-15-23-20(24-28-15)21-12-25(9-16-5-3-2-4-6-16)10-17(21)7-8-26(13-21)19(27)18-11-29-14-22-18/h2-6,11,14,17H,7-10,12-13H2,1H3/t17-,21-/m0/s1

InChI Key

FHKIIZWBCHZFIV-UWJYYQICSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

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

2.558

Distribution Coefficient, logD

0.008

Water Solubility, LogSw

-2.50

Polar Surface Area

61.047

Acid Dissociation Constant (pKa)

25.69

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with SC53-1026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC53-1026?
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What is the minimum amount of SC53-1026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC53-1026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC53-1026
  • 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 SC53-1026 available by request