CM2432-0927 Screening compound: 5-{[(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]carbonyl}-1-methyl-1,3-dihydro-2H-indol-2-one

CM2432-0927 Screening compound: 5-{[(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]carbonyl}-1-methyl-1,3-dihydro-2H-indol-2-one
CM2432-0927 Screening compound: 5-{[(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]carbonyl}-1-methyl-1,3-dihydro-2H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2432-0927
5-{[(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]carbonyl}-1-methyl-1,3-dihydro-2H-indol-2-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

CM2432-0927

Molecular Formula

C22H31N3O3 (C22 H31 N3 O3)

Compound Name

5-{[(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]carbonyl}-1-methyl-1,3-dihydro-2H-indol-2-one

IUPAC name

n/a

SMILES

CC(C)CN1C[C@@H](CN(C2)C(c(cc3)cc(C4)c3N(C)C4=O)=O)[C@]2(CO)CC1

InChI

InChI=1S/C22H31N3O3/c1-15(2)10-24-7-6-22(14-26)13-25(12-18(22)11-24)21(28)16-4-5-19-17(8-16)9-20(27)23(19)3/h4-5,8,15,18,26H,6-7,9-14H2,1-3H3/t18-,22-/m1/s1

InChI Key

OSQSDVAQCWIGQH-XMSQKQJNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.233

Distribution Coefficient, logD

-1.510

Water Solubility, LogSw

-2.03

Polar Surface Area

53.684

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

10.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.60

CM2432-0927 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with CM2432-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2432-0927?
Check Price and Availability of CM2432-0927, 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 CM2432-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2432-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2432-0927
  • 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 CM2432-0927 available by request