P169-0277 Screening compound: N-[(2-ETHYL-6-METHYLIMIDAZO[2,1-B][1,3,4]THIADIAZOL-5-YL)METHYL]-2-(1H-INDOL-3-YL)ACETAMIDE

P169-0277 Screening compound: N-[(2-ETHYL-6-METHYLIMIDAZO[2,1-B][1,3,4]THIADIAZOL-5-YL)METHYL]-2-(1H-INDOL-3-YL)ACETAMIDE
P169-0277 Screening compound: N-[(2-ETHYL-6-METHYLIMIDAZO[2,1-B][1,3,4]THIADIAZOL-5-YL)METHYL]-2-(1H-INDOL-3-YL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P169-0277
N-[(2-ETHYL-6-METHYLIMIDAZO[2,1-B][1,3,4]THIADIAZOL-5-YL)METHYL]-2-(1H-INDOL-3-YL)ACETAMIDE

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

P169-0277

Molecular Formula

C18H19N5OS (C18 H19 N5 OS)

Compound Name

N-[(2-ETHYL-6-METHYLIMIDAZO[2,1-B][1,3,4]THIADIAZOL-5-YL)METHYL]-2-(1H-INDOL-3-YL)ACETAMIDE

IUPAC name

N-({2-ethyl-6-methylimidazo[21-b][134]thiadiazol-5-yl}methyl)-2-(1H-indol-3-yl)acetamide

SMILES

CCc(s1)nn2c1nc(C)c2CNC(Cc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C18H19N5OS/c1-3-17-22-23-15(11(2)21-18(23)25-17)10-20-16(24)8-12-9-19-14-7-5-4-6-13(12)14/h4-7,9,19H,3,8,10H2,1-2H3,(H,20,24)

InChI Key

YAZAVNDSQZRLIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.750

Distribution Coefficient, logD

2.750

Water Solubility, LogSw

-2.93

Polar Surface Area

55.665

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

P169-0277 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with P169-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P169-0277?
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What is the minimum amount of P169-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P169-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P169-0277
  • 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 P169-0277 available by request