C265-0608 Screening compound: N-(3-chlorophenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-propylacetamide

C265-0608 Screening compound: N-(3-chlorophenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-propylacetamide
C265-0608 Screening compound: N-(3-chlorophenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C265-0608
N-(3-chlorophenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-propylacetamide

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

C265-0608

Molecular Formula

C30H30ClFN4O4S (C30 H30 ClFN4 O4 S)

Compound Name

N-(3-chlorophenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-propylacetamide

IUPAC name

N-(3-chlorophenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-12-dihydroisoquinolin-2-yl)-N-propylacetamide

SMILES

CCCN(C(CN(C=C(c1c2cccc1)S(N(CC1)CCN1c(cccc1)c1F)(=O)=O)C2=O)=O)c1cccc(Cl)c1

InChI

InChI=1S/C30H30ClFN4O4S/c1-2-14-36(23-9-7-8-22(31)19-23)29(37)21-34-20-28(24-10-3-4-11-25(24)30(34)38)41(39,40)35-17-15-33(16-18-35)27-13-6-5-12-26(27)32/h3-13,19-20H,2,14-18,21H2,1H3

InChI Key

ZQQCAEYNYDFSAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.11

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.575

Water Solubility, LogSw

-4.63

Polar Surface Area

66.216

Acid Dissociation Constant (pKa)

23.60

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C265-0608 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C265-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C265-0608?
Check Price and Availability of C265-0608, 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 C265-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C265-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C265-0608
  • 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 C265-0608 available by request