C265-0560 Screening compound: ethyl 2-({2-[4-{[4-(2-fluorophenyl)piperazino]sulfonyl}-1-oxo-2(1H)-isoquinolinyl]acetyl}amino)benzoate

C265-0560 Screening compound: ethyl 2-({2-[4-{[4-(2-fluorophenyl)piperazino]sulfonyl}-1-oxo-2(1H)-isoquinolinyl]acetyl}amino)benzoate
C265-0560 Screening compound: ethyl 2-({2-[4-{[4-(2-fluorophenyl)piperazino]sulfonyl}-1-oxo-2(1H)-isoquinolinyl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C265-0560
ethyl 2-({2-[4-{[4-(2-fluorophenyl)piperazino]sulfonyl}-1-oxo-2(1H)-isoquinolinyl]acetyl}amino)benzoate

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

C265-0560

Molecular Formula

C30H29FN4O6S (C30 H29 FN4 O6 S)

Compound Name

ethyl 2-({2-[4-{[4-(2-fluorophenyl)piperazino]sulfonyl}-1-oxo-2(1H)-isoquinolinyl]acetyl}amino)benzoate

IUPAC name

ethyl 2-[2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-12-dihydroisoquinolin-2-yl)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C=C(c1c2cccc1)S(N(CC1)CCN1c(cccc1)c1F)(=O)=O)C2=O)=O)=O

InChI

InChI=1S/C30H29FN4O6S/c1-2-41-30(38)23-11-5-7-13-25(23)32-28(36)20-34-19-27(21-9-3-4-10-22(21)29(34)37)42(39,40)35-17-15-33(16-18-35)26-14-8-6-12-24(26)31/h3-14,19H,2,15-18,20H2,1H3,(H,32,36)

InChI Key

AVKOHRPSOCANIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-3.86

Polar Surface Area

94.076

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.33

C265-0560 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C265-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C265-0560?
Check Price and Availability of C265-0560, 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 C265-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C265-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C265-0560
  • 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 C265-0560 available by request