T494-0035 Screening compound: 5-(5-bromofuran-2-carbonyl)-3-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

T494-0035 Screening compound: 5-(5-bromofuran-2-carbonyl)-3-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
T494-0035 Screening compound: 5-(5-bromofuran-2-carbonyl)-3-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound T494-0035
5-(5-bromofuran-2-carbonyl)-3-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

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

T494-0035

Molecular Formula

C12H12BrN3O2 (C12 H12 BrN3 O2)

Compound Name

5-(5-bromofuran-2-carbonyl)-3-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

IUPAC name

5-(5-bromofuran-2-carbonyl)-3-methyl-3H4H5H6H7H-imidazo[45-c]pyridine

SMILES

Cn1c(CN(CC2)C(c(o3)ccc3Br)=O)c2nc1

InChI

InChI=1S/C12H12BrN3O2/c1-15-7-14-8-4-5-16(6-9(8)15)12(17)10-2-3-11(13)18-10/h2-3,7H,4-6H2,1H3

InChI Key

DGTFEJODKCYXGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.149

Distribution Coefficient, logD

1.149

Water Solubility, LogSw

-1.93

Polar Surface Area

38.483

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

T494-0035 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T494-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T494-0035?
Check Price and Availability of T494-0035, 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 T494-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T494-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T494-0035
  • 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 T494-0035 available by request