C265-0491 Screening compound: N-(3,4-dimethoxyphenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

C265-0491 Screening compound: N-(3,4-dimethoxyphenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide
C265-0491 Screening compound: N-(3,4-dimethoxyphenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C265-0491
N-(3,4-dimethoxyphenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)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

C265-0491

Molecular Formula

C29H29FN4O6S (C29 H29 FN4 O6 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-12-dihydroisoquinolin-2-yl)acetamide

SMILES

COc(ccc(NC(CN(C=C(c1c2cccc1)S(N(CC1)CCN1c(cccc1)c1F)(=O)=O)C2=O)=O)c1)c1OC

InChI

InChI=1S/C29H29FN4O6S/c1-39-25-12-11-20(17-26(25)40-2)31-28(35)19-33-18-27(21-7-3-4-8-22(21)29(33)36)41(37,38)34-15-13-32(14-16-34)24-10-6-5-9-23(24)30/h3-12,17-18H,13-16,19H2,1-2H3,(H,31,35)

InChI Key

UOSDDWUVSJKTNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.64

Polar Surface Area

89.281

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C265-0491 in Drug Discovery

Included in Screening Libraries

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 C265-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C265-0491?
Check Price and Availability of C265-0491, 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 C265-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C265-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C265-0491
  • 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 C265-0491 available by request