P169-0319 Screening compound: N-({2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-3-(1H-indol-3-yl)propanamide

P169-0319 Screening compound: N-({2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-3-(1H-indol-3-yl)propanamide
P169-0319 Screening compound: N-({2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-3-(1H-indol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P169-0319
N-({2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-3-(1H-indol-3-yl)propanamide

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

P169-0319

Molecular Formula

C19H21N5OS (C19 H21 N5 OS)

Compound Name

N-({2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-3-(1H-indol-3-yl)propanamide

IUPAC name

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

SMILES

CCc(s1)nn2c1nc(C)c2CNC(CCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C19H21N5OS/c1-3-18-23-24-16(12(2)22-19(24)26-18)11-21-17(25)9-8-13-10-20-15-7-5-4-6-14(13)15/h4-7,10,20H,3,8-9,11H2,1-2H3,(H,21,25)

InChI Key

OSLQNSZLEXEYOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.10

Polar Surface Area

55.665

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

P169-0319 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P169-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P169-0319?
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What is the minimum amount of P169-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P169-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P169-0319
  • 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 P169-0319 available by request