R052-0838 Screening compound: 4-{3-bromo-5-methoxy-4-[(pyridin-2-yl)methoxy]phenyl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid

R052-0838 Screening compound: 4-{3-bromo-5-methoxy-4-[(pyridin-2-yl)methoxy]phenyl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
R052-0838 Screening compound: 4-{3-bromo-5-methoxy-4-[(pyridin-2-yl)methoxy]phenyl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-0838
4-{3-bromo-5-methoxy-4-[(pyridin-2-yl)methoxy]phenyl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-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

R052-0838

Molecular Formula

C20H19BrN4O4 (C20 H19 BrN4 O4)

Compound Name

4-{3-bromo-5-methoxy-4-[(pyridin-2-yl)methoxy]phenyl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid

IUPAC name

4-{3-bromo-5-methoxy-4-[(pyridin-2-yl)methoxy]phenyl}-3H4H5H6H7H-imidazo[45-c]pyridine-6-carboxylic acid

SMILES

COc1cc(C(c2c(C3)nc[nH]2)NC3C(O)=O)cc(Br)c1OCc1ncccc1

InChI

InChI=1S/C20H19BrN4O4/c1-28-16-7-11(6-13(21)19(16)29-9-12-4-2-3-5-22-12)17-18-14(23-10-24-18)8-15(25-17)20(26)27/h2-7,10,15,17,25H,8-9H2,1H3,(H,23,24)(H,26,27)

InChI Key

NTPRRGGLUNZPLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02089328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.989

Distribution Coefficient, logD

-1.573

Water Solubility, LogSw

-2.03

Polar Surface Area

88.762

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

R052-0838 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)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with R052-0838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-0838?
Check Price and Availability of R052-0838, 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 R052-0838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-0838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-0838
  • 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 R052-0838 available by request