Y040-5608 Screening compound: 4-[4-(1H-indol-4-yl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid

Y040-5608 Screening compound: 4-[4-(1H-indol-4-yl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid
Y040-5608 Screening compound: 4-[4-(1H-indol-4-yl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5608
4-[4-(1H-indol-4-yl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic 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

Y040-5608

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

4-[4-(1H-indol-4-yl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid

IUPAC name

4-[4-(1H-indol-4-yl)-3H4H5H6H7H-imidazo[45-c]pyridin-5-yl]-4-oxobutanoic acid

SMILES

OC(CCC(N(CCc1c2[nH]cn1)C2c1c(cc[nH]2)c2ccc1)=O)=O

InChI

InChI=1S/C18H18N4O3/c23-15(4-5-16(24)25)22-9-7-14-17(21-10-20-14)18(22)12-2-1-3-13-11(12)6-8-19-13/h1-3,6,8,10,18-19H,4-5,7,9H2,(H,20,21)(H,24,25)/t18-/m1/s1

InChI Key

CKBVXYJEFWFZOL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD11501582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.187

Distribution Coefficient, logD

-1.763

Water Solubility, LogSw

-1.79

Polar Surface Area

76.961

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

Y040-5608 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Integrin Receptors Targeted library (1715 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-5608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5608?
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What is the minimum amount of Y040-5608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5608
  • 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 Y040-5608 available by request