3474-0190 Screening compound: ethyl 7-(4-bromophenyl)-3-cyano-2,5-dimethyl-1-phenyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate

3474-0190 Screening compound: ethyl 7-(4-bromophenyl)-3-cyano-2,5-dimethyl-1-phenyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
3474-0190 Screening compound: ethyl 7-(4-bromophenyl)-3-cyano-2,5-dimethyl-1-phenyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3474-0190
ethyl 7-(4-bromophenyl)-3-cyano-2,5-dimethyl-1-phenyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate

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

3474-0190

Molecular Formula

C25H20BrN3O2 (C25 H20 BrN3 O2)

Compound Name

ethyl 7-(4-bromophenyl)-3-cyano-2,5-dimethyl-1-phenyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate

IUPAC name

ethyl 7-(4-bromophenyl)-3-cyano-25-dimethyl-1-phenyl-1H-pyrrolo[32-b]pyridine-6-carboxylate

SMILES

CCOC(c(c(C)nc(c(C#N)c1C)c2n1-c1ccccc1)c2-c(cc1)ccc1Br)=O

InChI

InChI=1S/C25H20BrN3O2/c1-4-31-25(30)21-15(2)28-23-20(14-27)16(3)29(19-8-6-5-7-9-19)24(23)22(21)17-10-12-18(26)13-11-17/h5-13H,4H2,1-3H3

InChI Key

GOTOZORIIVXGPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01828959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.840

Distribution Coefficient, logD

5.840

Water Solubility, LogSw

-5.73

Polar Surface Area

49.446

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

3474-0190 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 3474-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3474-0190?
Check Price and Availability of 3474-0190, 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 3474-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3474-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3474-0190
  • 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 3474-0190 available by request