CM3593-1490 Screening compound: 1'-isobutyl-3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1,4'-bipiperidine

CM3593-1490 Screening compound: 1'-isobutyl-3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1,4'-bipiperidine
CM3593-1490 Screening compound: 1'-isobutyl-3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3593-1490
1'-isobutyl-3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1,4'-bipiperidine

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

CM3593-1490

Molecular Formula

C19H35N5O (C19 H35 N5 O)

Compound Name

1'-isobutyl-3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1,4'-bipiperidine

IUPAC name

3-{[4-(methoxymethyl)-1H-123-triazol-1-yl]methyl}-1'-(2-methylpropyl)-14'-bipiperidine

SMILES

CC(C)CN(CC1)CCC1N1CC(Cn2nnc(COC)c2)CCC1

InChI

InChI=1S/C19H35N5O/c1-16(2)11-22-9-6-19(7-10-22)23-8-4-5-17(12-23)13-24-14-18(15-25-3)20-21-24/h14,16-17,19H,4-13,15H2,1-3H3/t17-/m0/s1

InChI Key

AOPDMPBCWOPWJK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30467239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

0.361

Water Solubility, LogSw

-1.84

Polar Surface Area

42.702

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

89.47

CM3593-1490 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 CM3593-1490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3593-1490?
Check Price and Availability of CM3593-1490, 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 CM3593-1490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3593-1490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3593-1490
  • 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 CM3593-1490 available by request