C265-0487 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(4-phenoxyphenyl)acetamide

C265-0487 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(4-phenoxyphenyl)acetamide
C265-0487 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(4-phenoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C265-0487
2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(4-phenoxyphenyl)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

C265-0487

Molecular Formula

C33H29FN4O5S (C33 H29 FN4 O5 S)

Compound Name

2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(4-phenoxyphenyl)acetamide

IUPAC name

2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-12-dihydroisoquinolin-2-yl)-N-(4-phenoxyphenyl)acetamide

SMILES

O=C(CN(C=C(c1c2cccc1)S(N(CC1)CCN1c(cccc1)c1F)(=O)=O)C2=O)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C33H29FN4O5S/c34-29-12-6-7-13-30(29)36-18-20-38(21-19-36)44(41,42)31-22-37(33(40)28-11-5-4-10-27(28)31)23-32(39)35-24-14-16-26(17-15-24)43-25-8-2-1-3-9-25/h1-17,22H,18-21,23H2,(H,35,39)

InChI Key

OGJYDYCOKPCLDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.066

Water Solubility, LogSw

-4.78

Polar Surface Area

80.768

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

C265-0487 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C265-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C265-0487?
Check Price and Availability of C265-0487, 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 C265-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C265-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C265-0487
  • 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 C265-0487 available by request