SB23-0947 Screening compound: 1-[(3aR,7aS)-2-(cyclopropylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-cyclopentyl-1-propanone

SB23-0947 Screening compound: 1-[(3aR,7aS)-2-(cyclopropylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-cyclopentyl-1-propanone
SB23-0947 Screening compound: 1-[(3aR,7aS)-2-(cyclopropylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-cyclopentyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB23-0947
1-[(3aR,7aS)-2-(cyclopropylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-cyclopentyl-1-propanone

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

SB23-0947

Molecular Formula

C22H33N5O2 (C22 H33 N5 O2)

Compound Name

1-[(3aR,7aS)-2-(cyclopropylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-cyclopentyl-1-propanone

IUPAC name

1-[(3aR7aS)-2-cyclopropanecarbonyl-7a-(3-methyl-1H-124-triazol-5-yl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-3-cyclopentylpropan-1-one

SMILES

Cc1n[nH]c([C@@](CN(C2)C(C3CC3)=O)(CC3)[C@@H]2CN3C(CCC2CCCC2)=O)n1

InChI

InChI=1S/C22H33N5O2/c1-15-23-21(25-24-15)22-10-11-26(19(28)9-6-16-4-2-3-5-16)12-18(22)13-27(14-22)20(29)17-7-8-17/h16-18H,2-14H2,1H3,(H,23,24,25)/t18-,22+/m0/s1

InChI Key

IXEUOHHRGRVJOH-PGRDOPGGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.138

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-2.27

Polar Surface Area

67.381

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

81.82

SB23-0947 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB23-0947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-0947?
Check Price and Availability of SB23-0947, 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 SB23-0947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-0947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-0947
  • 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 SB23-0947 available by request