P861-0839 Screening compound: 6-(4-fluorophenyl)-5-[(2-methoxyethyl)amino]-3-methyl-N-[(pyridin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

P861-0839 Screening compound: 6-(4-fluorophenyl)-5-[(2-methoxyethyl)amino]-3-methyl-N-[(pyridin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
P861-0839 Screening compound: 6-(4-fluorophenyl)-5-[(2-methoxyethyl)amino]-3-methyl-N-[(pyridin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P861-0839
6-(4-fluorophenyl)-5-[(2-methoxyethyl)amino]-3-methyl-N-[(pyridin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-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

P861-0839

Molecular Formula

C22H22FN5O2S (C22 H22 FN5 O2 S)

Compound Name

6-(4-fluorophenyl)-5-[(2-methoxyethyl)amino]-3-methyl-N-[(pyridin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

IUPAC name

6-(4-fluorophenyl)-5-[(2-methoxyethyl)amino]-3-methyl-N-[(pyridin-2-yl)methyl]imidazo[21-b][13]thiazole-2-carboxamide

SMILES

Cc1c(C(NCc2ncccc2)=O)sc2nc(-c(cc3)ccc3F)c(NCCOC)n12

InChI

InChI=1S/C22H22FN5O2S/c1-14-19(21(29)26-13-17-5-3-4-10-24-17)31-22-27-18(15-6-8-16(23)9-7-15)20(28(14)22)25-11-12-30-2/h3-10,25H,11-13H2,1-2H3,(H,26,29)

InChI Key

MIKCADZSGGOVSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.315

Distribution Coefficient, logD

3.315

Water Solubility, LogSw

-3.63

Polar Surface Area

62.058

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P861-0839 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P861-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P861-0839?
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What is the minimum amount of P861-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P861-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P861-0839
  • 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 P861-0839 available by request