SB76-0359 Screening compound: (3aR,7aR)-5-benzyl-2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

SB76-0359 Screening compound: (3aR,7aR)-5-benzyl-2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
SB76-0359 Screening compound: (3aR,7aR)-5-benzyl-2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB76-0359
(3aR,7aR)-5-benzyl-2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]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

SB76-0359

Molecular Formula

C21H26N4O2 (C21 H26 N4 O2)

Compound Name

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

IUPAC name

(3aR7aR)-5-benzyl-2-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-octahydro-1H-pyrrolo[34-c]pyridin-6-one

SMILES

CCn1ncc(C(N(C2)C[C@@H](CN3Cc4ccccc4)[C@H]2CC3=O)=O)c1C

InChI

InChI=1S/C21H26N4O2/c1-3-25-15(2)19(10-22-25)21(27)24-12-17-9-20(26)23(13-18(17)14-24)11-16-7-5-4-6-8-16/h4-8,10,17-18H,3,9,11-14H2,1-2H3/t17-,18+/m1/s1

InChI Key

KBDBQLUCCYQONJ-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.469

Distribution Coefficient, logD

1.469

Water Solubility, LogSw

-2.02

Polar Surface Area

47.603

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.62

SB76-0359 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 SB76-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB76-0359?
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What is the minimum amount of SB76-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB76-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB76-0359
  • 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 SB76-0359 available by request