P169-0879 Screening compound: 1-acetyl-N-({2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)piperidine-4-carboxamide

P169-0879 Screening compound: 1-acetyl-N-({2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)piperidine-4-carboxamide
P169-0879 Screening compound: 1-acetyl-N-({2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P169-0879
1-acetyl-N-({2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)piperidine-4-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

P169-0879

Molecular Formula

C21H25N5O2S (C21 H25 N5 O2 S)

Compound Name

1-acetyl-N-({2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)piperidine-4-carboxamide

IUPAC name

1-acetyl-N-({2-ethyl-6-phenylimidazo[21-b][134]thiadiazol-5-yl}methyl)piperidine-4-carboxamide

SMILES

CCc(s1)nn2c1nc(-c1ccccc1)c2CNC(C(CC1)CCN1C(C)=O)=O

InChI

InChI=1S/C21H25N5O2S/c1-3-18-24-26-17(19(23-21(26)29-18)15-7-5-4-6-8-15)13-22-20(28)16-9-11-25(12-10-16)14(2)27/h4-8,16H,3,9-13H2,1-2H3,(H,22,28)

InChI Key

SEBQCZNYVKWMBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.176

Distribution Coefficient, logD

2.176

Water Solubility, LogSw

-2.46

Polar Surface Area

63.317

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

P169-0879 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

SmartTM Library (51161 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P169-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P169-0879?
Check Price and Availability of P169-0879, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P169-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P169-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P169-0879
  • 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 P169-0879 available by request