CM2432-1583 Screening compound: {2-[3-(dimethylamino)benzoyl]-5-(2-methylpropyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl}methanol

CM2432-1583 Screening compound: {2-[3-(dimethylamino)benzoyl]-5-(2-methylpropyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl}methanol
CM2432-1583 Screening compound: {2-[3-(dimethylamino)benzoyl]-5-(2-methylpropyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2432-1583
{2-[3-(dimethylamino)benzoyl]-5-(2-methylpropyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl}methanol

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

CM2432-1583

Molecular Formula

C21H33N3O2 (C21 H33 N3 O2)

Compound Name

{2-[3-(dimethylamino)benzoyl]-5-(2-methylpropyl)-octahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl}methanol

IUPAC name

[(3aS7aR)-2-[3-(dimethylamino)benzoyl]-5-(2-methylpropyl)-octahydro-1H-pyrrolo[34-c]pyridin-7a-yl]methanol

SMILES

CC(C)CN1C[C@@H](CN(C2)C(c3cc(N(C)C)ccc3)=O)[C@]2(CO)CC1

InChI

InChI=1S/C21H33N3O2/c1-16(2)11-23-9-8-21(15-25)14-24(13-18(21)12-23)20(26)17-6-5-7-19(10-17)22(3)4/h5-7,10,16,18,25H,8-9,11-15H2,1-4H3/t18-,21-/m1/s1

InChI Key

DFOVQWZEVZCJKZ-WIYYLYMNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

-0.440

Water Solubility, LogSw

-2.56

Polar Surface Area

40.705

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

10.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

CM2432-1583 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with CM2432-1583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2432-1583?
Check Price and Availability of CM2432-1583, 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 CM2432-1583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2432-1583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2432-1583
  • 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 CM2432-1583 available by request