CM3593-1130 Screening compound: 1-ethyl-5-methoxy-3-[(3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)methyl]-1H-indole

CM3593-1130 Screening compound: 1-ethyl-5-methoxy-3-[(3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)methyl]-1H-indole
CM3593-1130 Screening compound: 1-ethyl-5-methoxy-3-[(3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3593-1130
1-ethyl-5-methoxy-3-[(3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)methyl]-1H-indole

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

CM3593-1130

Molecular Formula

C22H31N5O2 (C22 H31 N5 O2)

Compound Name

1-ethyl-5-methoxy-3-[(3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)methyl]-1H-indole

IUPAC name

1-ethyl-5-methoxy-3-[(3-{[4-(methoxymethyl)-1H-123-triazol-1-yl]methyl}piperidin-1-yl)methyl]-1H-indole

SMILES

CCn1c(ccc(OC)c2)c2c(CN2CC(Cn3nnc(COC)c3)CCC2)c1

InChI

InChI=1S/C22H31N5O2/c1-4-26-14-18(21-10-20(29-3)7-8-22(21)26)13-25-9-5-6-17(11-25)12-27-15-19(16-28-2)23-24-27/h7-8,10,14-15,17H,4-6,9,11-13,16H2,1-3H3/t17-/m0/s1

InChI Key

ALCHWQFOFUTVBL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30466189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.475

Distribution Coefficient, logD

-1.149

Water Solubility, LogSw

-2.50

Polar Surface Area

48.609

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

11.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

CM3593-1130 in Drug Discovery

Included in Screening Libraries

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 CM3593-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3593-1130?
Check Price and Availability of CM3593-1130, 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 CM3593-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3593-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3593-1130
  • 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 CM3593-1130 available by request