R052-0812 Screening compound: 1-(2,3,4-trimethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

R052-0812 Screening compound: 1-(2,3,4-trimethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
R052-0812 Screening compound: 1-(2,3,4-trimethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-0812
1-(2,3,4-trimethoxyphenyl)-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

R052-0812

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

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

IUPAC name

1-(234-trimethoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylic acid

SMILES

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

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.906

Distribution Coefficient, logD

-0.630

Water Solubility, LogSw

-2.56

Polar Surface Area

74.272

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

8.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

R052-0812 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with R052-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-0812?
Check Price and Availability of R052-0812, 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 R052-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-0812
  • 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 R052-0812 available by request