SB76-0341 Screening compound: (3aS,7aR)-5-benzyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

SB76-0341 Screening compound: (3aS,7aR)-5-benzyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
SB76-0341 Screening compound: (3aS,7aR)-5-benzyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB76-0341
(3aS,7aR)-5-benzyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

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

SB76-0341

Molecular Formula

C19H23N3OS (C19 H23 N3 OS)

Compound Name

(3aS,7aR)-5-benzyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

IUPAC name

(3aS7aR)-5-benzyl-2-[(4-methyl-13-thiazol-5-yl)methyl]-octahydro-1H-pyrrolo[34-c]pyridin-6-one

SMILES

Cc1c(CN(C2)C[C@@H](CN3Cc4ccccc4)[C@H]2CC3=O)scn1

InChI

InChI=1S/C19H23N3OS/c1-14-18(24-13-20-14)12-21-9-16-7-19(23)22(11-17(16)10-21)8-15-5-3-2-4-6-15/h2-6,13,16-17H,7-12H2,1H3/t16-,17-/m1/s1

InChI Key

WOKIQNPVHOBISA-IAGOWNOFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

-1.963

Water Solubility, LogSw

-2.41

Polar Surface Area

30.967

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

11.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.37

SB76-0341 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB76-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB76-0341?
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What is the minimum amount of SB76-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB76-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB76-0341
  • 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 SB76-0341 available by request