P169-0843 Screening compound: N~2~-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]tetrahydro-2-furancarboxamide

P169-0843 Screening compound: N~2~-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]tetrahydro-2-furancarboxamide
P169-0843 Screening compound: N~2~-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]tetrahydro-2-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P169-0843
N~2~-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]tetrahydro-2-furancarboxamide

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

P169-0843

Molecular Formula

C18H20N4O2S (C18 H20 N4 O2 S)

Compound Name

N~2~-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]tetrahydro-2-furancarboxamide

IUPAC name

N-({2-ethyl-6-phenylimidazo[21-b][134]thiadiazol-5-yl}methyl)oxolane-2-carboxamide

SMILES

CCc(s1)nn2c1nc(-c1ccccc1)c2CNC(C1OCCC1)=O

InChI

InChI=1S/C18H20N4O2S/c1-2-15-21-22-13(11-19-17(23)14-9-6-10-24-14)16(20-18(22)25-15)12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3,(H,19,23)/t14-/m0/s1

InChI Key

UYVYHXVKPFCRNH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27567681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

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

2.250

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-2.55

Polar Surface Area

54.341

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

P169-0843 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

SmartTM Library (51161 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P169-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P169-0843?
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What is the minimum amount of P169-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P169-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P169-0843
  • 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 P169-0843 available by request