P725-0250 Screening compound: 5-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-2,3-dihydro-1H-indole

P725-0250 Screening compound: 5-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-2,3-dihydro-1H-indole
P725-0250 Screening compound: 5-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound P725-0250
5-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-2,3-dihydro-1H-indole

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

P725-0250

Molecular Formula

C23H20N2O3S (C23 H20 N2 O3 S)

Compound Name

5-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-2,3-dihydro-1H-indole

IUPAC name

5-(2-cyclopropyl-13-thiazol-4-yl)-1-(23-dihydro-14-benzodioxine-2-carbonyl)-23-dihydro-1H-indole

SMILES

O=C(C1Oc(cccc2)c2OC1)N(CC1)c(cc2)c1cc2-c1csc(C2CC2)n1

InChI

InChI=1S/C23H20N2O3S/c26-23(21-12-27-19-3-1-2-4-20(19)28-21)25-10-9-16-11-15(7-8-18(16)25)17-13-29-22(24-17)14-5-6-14/h1-4,7-8,11,13-14,21H,5-6,9-10,12H2/t21-/m0/s1

InChI Key

PEUPCJIZTSGOFA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27614117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.843

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.87

Polar Surface Area

41.340

Acid Dissociation Constant (pKa)

20.79

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

P725-0250 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with P725-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P725-0250?
Check Price and Availability of P725-0250, 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 P725-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P725-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P725-0250
  • 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 P725-0250 available by request