P725-0242 Screening compound: 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indol-1-yl]-2-(pyridin-4-ylsulfanyl)ethan-1-one

P725-0242 Screening compound: 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indol-1-yl]-2-(pyridin-4-ylsulfanyl)ethan-1-one
P725-0242 Screening compound: 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indol-1-yl]-2-(pyridin-4-ylsulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P725-0242
1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indol-1-yl]-2-(pyridin-4-ylsulfanyl)ethan-1-one

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

P725-0242

Molecular Formula

C21H19N3OS2 (C21 H19 N3 OS2)

Compound Name

1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indol-1-yl]-2-(pyridin-4-ylsulfanyl)ethan-1-one

IUPAC name

1-[5-(2-cyclopropyl-13-thiazol-4-yl)-23-dihydro-1H-indol-1-yl]-2-(pyridin-4-ylsulfanyl)ethan-1-one

SMILES

O=C(CSc1ccncc1)N(CC1)c(cc2)c1cc2-c1csc(C2CC2)n1

InChI

InChI=1S/C21H19N3OS2/c25-20(13-26-17-5-8-22-9-6-17)24-10-7-16-11-15(3-4-19(16)24)18-12-27-21(23-18)14-1-2-14/h3-6,8-9,11-12,14H,1-2,7,10,13H2

InChI Key

IZCKGGORKVYMHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.01

Polar Surface Area

34.804

Acid Dissociation Constant (pKa)

21.93

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P725-0242 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 P725-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P725-0242?
Check Price and Availability of P725-0242, 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 P725-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P725-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P725-0242
  • 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 P725-0242 available by request