P169-0607 Screening compound: N-({2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2-(thiophen-3-yl)acetamide

P169-0607 Screening compound: N-({2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2-(thiophen-3-yl)acetamide
P169-0607 Screening compound: N-({2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2-(thiophen-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P169-0607
N-({2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2-(thiophen-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

P169-0607

Molecular Formula

C18H16N4OS2 (C18 H16 N4 OS2)

Compound Name

N-({2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl}methyl)-2-(thiophen-3-yl)acetamide

IUPAC name

N-({2-methyl-6-phenylimidazo[21-b][134]thiadiazol-5-yl}methyl)-2-(thiophen-3-yl)acetamide

SMILES

Cc(s1)nn2c1nc(-c1ccccc1)c2CNC(Cc1cscc1)=O

InChI

InChI=1S/C18H16N4OS2/c1-12-21-22-15(10-19-16(23)9-13-7-8-24-11-13)17(20-18(22)25-12)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,19,23)

InChI Key

PQKJRHBJYJGLKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.773

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-3.06

Polar Surface Area

46.046

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

P169-0607 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P169-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P169-0607?
Check Price and Availability of P169-0607, 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 P169-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P169-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P169-0607
  • 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 P169-0607 available by request