P169-0285 Screening compound: N-({2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2H-1,3-benzodioxole-5-carboxamide

P169-0285 Screening compound: N-({2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2H-1,3-benzodioxole-5-carboxamide
P169-0285 Screening compound: N-({2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P169-0285
N-({2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2H-1,3-benzodioxole-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

P169-0285

Molecular Formula

C16H16N4O3S (C16 H16 N4 O3 S)

Compound Name

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

IUPAC name

N-({2-ethyl-6-methylimidazo[21-b][134]thiadiazol-5-yl}methyl)-2H-13-benzodioxole-5-carboxamide

SMILES

CCc(s1)nn2c1nc(C)c2CNC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C16H16N4O3S/c1-3-14-19-20-11(9(2)18-16(20)24-14)7-17-15(21)10-4-5-12-13(6-10)23-8-22-12/h4-6H,3,7-8H2,1-2H3,(H,17,21)

InChI Key

ICVPOAHSGZEYBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-2.94

Polar Surface Area

63.123

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

P169-0285 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P169-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P169-0285?
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What is the minimum amount of P169-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P169-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P169-0285
  • 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 P169-0285 available by request