Y040-6423 Screening compound: 2'-(2-methylpropyl)-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid

Y040-6423 Screening compound: 2'-(2-methylpropyl)-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
Y040-6423 Screening compound: 2'-(2-methylpropyl)-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6423
2'-(2-methylpropyl)-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid

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

Y040-6423

Molecular Formula

C19H25NO3 (C19 H25 NO3)

Compound Name

2'-(2-methylpropyl)-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid

IUPAC name

2'-(2-methylpropyl)-1'-oxo-2'4'-dihydro-1'H-spiro[cyclohexane-13'-isoquinoline]-4'-carboxylic acid

SMILES

CC(C)CN(C1(CCCCC1)C(C(O)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C19H25NO3/c1-13(2)12-20-17(21)15-9-5-4-8-14(15)16(18(22)23)19(20)10-6-3-7-11-19/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3,(H,22,23)/t16-/m0/s1

InChI Key

YDGATRMZEMWJAW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD16171035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

0.851

Water Solubility, LogSw

-3.53

Polar Surface Area

44.310

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

Y040-6423 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Immune system
Targets:
  • Others
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with Y040-6423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6423?
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What is the minimum amount of Y040-6423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6423
  • 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 Y040-6423 available by request