SB76-0364 Screening compound: (3aR,7aR)-5-benzyl-2-[2-(3-methylphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

SB76-0364 Screening compound: (3aR,7aR)-5-benzyl-2-[2-(3-methylphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
SB76-0364 Screening compound: (3aR,7aR)-5-benzyl-2-[2-(3-methylphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB76-0364
(3aR,7aR)-5-benzyl-2-[2-(3-methylphenyl)acetyl]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

SB76-0364

Molecular Formula

C23H26N2O2 (C23 H26 N2 O2)

Compound Name

(3aR,7aR)-5-benzyl-2-[2-(3-methylphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

IUPAC name

(3aS7aR)-5-benzyl-2-[2-(3-methylphenyl)acetyl]-octahydro-1H-pyrrolo[34-c]pyridin-6-one

SMILES

Cc1cccc(CC(N(C2)C[C@@H](CN3Cc4ccccc4)[C@H]2CC3=O)=O)c1

InChI

InChI=1S/C23H26N2O2/c1-17-6-5-9-19(10-17)11-22(26)25-14-20-12-23(27)24(15-21(20)16-25)13-18-7-3-2-4-8-18/h2-10,20-21H,11-16H2,1H3/t20-,21+/m1/s1

InChI Key

PMJZZUWPRNRWHT-RTWAWAEBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.41

Polar Surface Area

33.150

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

SB76-0364 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 SB76-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB76-0364?
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What is the minimum amount of SB76-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB76-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB76-0364
  • 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 SB76-0364 available by request