P725-0111 Screening compound: 3-fluoro-4-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indole-1-carbonyl]benzonitrile

P725-0111 Screening compound: 3-fluoro-4-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indole-1-carbonyl]benzonitrile
P725-0111 Screening compound: 3-fluoro-4-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indole-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P725-0111
3-fluoro-4-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indole-1-carbonyl]benzonitrile

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

P725-0111

Molecular Formula

C20H14FN3OS (C20 H14 FN3 OS)

Compound Name

3-fluoro-4-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indole-1-carbonyl]benzonitrile

IUPAC name

3-fluoro-4-[5-(2-methyl-13-thiazol-4-yl)-23-dihydro-1H-indole-1-carbonyl]benzonitrile

SMILES

Cc1nc(-c(cc2)cc(CC3)c2N3C(c(ccc(C#N)c2)c2F)=O)cs1

InChI

InChI=1S/C20H14FN3OS/c1-12-23-18(11-26-12)14-3-5-19-15(9-14)6-7-24(19)20(25)16-4-2-13(10-22)8-17(16)21/h2-5,8-9,11H,6-7H2,1H3

InChI Key

MUGRYJYRXFRGDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.35

Polar Surface Area

42.514

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P725-0111 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P725-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P725-0111?
Check Price and Availability of P725-0111, 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 P725-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P725-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P725-0111
  • 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 P725-0111 available by request