CM2432-1566 Screening compound: [(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](2-methyl-3-furyl)methanone

CM2432-1566 Screening compound: [(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](2-methyl-3-furyl)methanone
CM2432-1566 Screening compound: [(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](2-methyl-3-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2432-1566
[(3aS,7aR)-7a-(hydroxymethyl)-5-isobutyloctahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](2-methyl-3-furyl)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

CM2432-1566

Molecular Formula

C18H28N2O3 (C18 H28 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN1C[C@@H](CN(C2)C(c3c(C)occ3)=O)[C@]2(CO)CC1

InChI

InChI=1S/C18H28N2O3/c1-13(2)8-19-6-5-18(12-21)11-20(10-15(18)9-19)17(22)16-4-7-23-14(16)3/h4,7,13,15,21H,5-6,8-12H2,1-3H3/t15-,18-/m1/s1

InChI Key

VKIPBOUZYWXJFL-CRAIPNDOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.610

Distribution Coefficient, logD

-1.133

Water Solubility, LogSw

-2.08

Polar Surface Area

46.134

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

10.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.22

CM2432-1566 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with CM2432-1566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2432-1566?
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What is the minimum amount of CM2432-1566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2432-1566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2432-1566
  • 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 CM2432-1566 available by request