5534-0225 Screening compound: 1-(3-methoxy-4-propoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

5534-0225 Screening compound: 1-(3-methoxy-4-propoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
5534-0225 Screening compound: 1-(3-methoxy-4-propoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5534-0225
1-(3-methoxy-4-propoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-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

5534-0225

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

1-(3-methoxy-4-propoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

IUPAC name

1-(3-methoxy-4-propoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylic acid

SMILES

CCCOc(ccc(C(c1c(C2)c(cccc3)c3[nH]1)NC2C(O)=O)c1)c1OC

InChI

InChI=1S/C22H24N2O4/c1-3-10-28-18-9-8-13(11-19(18)27-2)20-21-15(12-17(24-20)22(25)26)14-6-4-5-7-16(14)23-21/h4-9,11,17,20,23-24H,3,10,12H2,1-2H3,(H,25,26)

InChI Key

ATSXTPFQAGOKOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02185693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.682

Distribution Coefficient, logD

0.147

Water Solubility, LogSw

-3.01

Polar Surface Area

66.342

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

5534-0225 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5534-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5534-0225?
Check Price and Availability of 5534-0225, 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 5534-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5534-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5534-0225
  • 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 5534-0225 available by request