P611-0446 Screening compound: 2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-methyl-N-[(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide

P611-0446 Screening compound: 2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-methyl-N-[(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
P611-0446 Screening compound: 2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-methyl-N-[(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P611-0446
2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-methyl-N-[(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide

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

P611-0446

Molecular Formula

C20H19N5OS (C20 H19 N5 OS)

Compound Name

2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-methyl-N-[(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide

IUPAC name

2-{1-ethyl-1H-pyrrolo[23-b]pyridin-3-yl}-4-methyl-N-[(pyridin-2-yl)methyl]-13-thiazole-5-carboxamide

SMILES

CCn1c(nccc2)c2c(-c2nc(C)c(C(NCc3ncccc3)=O)s2)c1

InChI

InChI=1S/C20H19N5OS/c1-3-25-12-16(15-8-6-10-22-18(15)25)20-24-13(2)17(27-20)19(26)23-11-14-7-4-5-9-21-14/h4-10,12H,3,11H2,1-2H3,(H,23,26)

InChI Key

BSVWFXYFPYNGKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

2.710

Water Solubility, LogSw

-3.09

Polar Surface Area

56.141

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P611-0446 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P611-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P611-0446?
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What is the minimum amount of P611-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P611-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P611-0446
  • 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 P611-0446 available by request