CM2432-1277 Screening compound: [(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-fluoro-4-methoxyphenyl)methanone

CM2432-1277 Screening compound: [(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-fluoro-4-methoxyphenyl)methanone
CM2432-1277 Screening compound: [(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-fluoro-4-methoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2432-1277
[(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-fluoro-4-methoxyphenyl)methanone

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

CM2432-1277

Molecular Formula

C20H29FN2O3 (C20 H29 FN2 O3)

Compound Name

[(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-fluoro-4-methoxyphenyl)methanone

IUPAC name

n/a

SMILES

CC(C)CN1C[C@@H](CN(C2)C(c(cc3)cc(F)c3OC)=O)[C@]2(CO)CC1

InChI

InChI=1S/C20H29FN2O3/c1-14(2)9-22-7-6-20(13-24)12-23(11-16(20)10-22)19(25)15-4-5-18(26-3)17(21)8-15/h4-5,8,14,16,24H,6-7,9-13H2,1-3H3/t16-,20-/m1/s1

InChI Key

YRWQYLFEMGMRKT-OXQOHEQNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.095

Distribution Coefficient, logD

-0.647

Water Solubility, LogSw

-2.68

Polar Surface Area

45.531

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

10.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

CM2432-1277 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)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM2432-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2432-1277?
Check Price and Availability of CM2432-1277, 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 CM2432-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2432-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2432-1277
  • 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 CM2432-1277 available by request