CM2354A-4680 Screening compound: 2,3-dihydro-1H-indol-1-yl[2-(1-ethylpropyl)-8-methyl-2,8-diazaspiro[4.5]dec-4-yl]methanone

CM2354A-4680 Screening compound: 2,3-dihydro-1H-indol-1-yl[2-(1-ethylpropyl)-8-methyl-2,8-diazaspiro[4.5]dec-4-yl]methanone
CM2354A-4680 Screening compound: 2,3-dihydro-1H-indol-1-yl[2-(1-ethylpropyl)-8-methyl-2,8-diazaspiro[4.5]dec-4-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2354A-4680
2,3-dihydro-1H-indol-1-yl[2-(1-ethylpropyl)-8-methyl-2,8-diazaspiro[4.5]dec-4-yl]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

CM2354A-4680

Molecular Formula

C23H35N3O (C23 H35 N3 O)

Compound Name

2,3-dihydro-1H-indol-1-yl[2-(1-ethylpropyl)-8-methyl-2,8-diazaspiro[4.5]dec-4-yl]methanone

IUPAC name

4-(23-dihydro-1H-indole-1-carbonyl)-8-methyl-2-(pentan-3-yl)-28-diazaspiro[4.5]decane

SMILES

CCC(CC)N(C1)CC2(CCN(C)CC2)C1C(N(CC1)c2c1cccc2)=O

InChI

InChI=1S/C23H35N3O/c1-4-19(5-2)25-16-20(23(17-25)11-14-24(3)15-12-23)22(27)26-13-10-18-8-6-7-9-21(18)26/h6-9,19-20H,4-5,10-17H2,1-3H3/t20-/m1/s1

InChI Key

UTDBTVJVIQVLNF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD30458636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.881

Distribution Coefficient, logD

-0.717

Water Solubility, LogSw

-3.27

Polar Surface Area

22.772

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

11.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.57

CM2354A-4680 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with CM2354A-4680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2354A-4680?
Check Price and Availability of CM2354A-4680, 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 CM2354A-4680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2354A-4680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2354A-4680
  • 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 CM2354A-4680 available by request