C265-0505 Screening compound: ethyl 1-{2-[4-{[4-(2-fluorophenyl)piperazino]sulfonyl}-1-oxo-2(1H)-isoquinolinyl]acetyl}-4-piperidinecarboxylate

C265-0505 Screening compound: ethyl 1-{2-[4-{[4-(2-fluorophenyl)piperazino]sulfonyl}-1-oxo-2(1H)-isoquinolinyl]acetyl}-4-piperidinecarboxylate
C265-0505 Screening compound: ethyl 1-{2-[4-{[4-(2-fluorophenyl)piperazino]sulfonyl}-1-oxo-2(1H)-isoquinolinyl]acetyl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C265-0505
ethyl 1-{2-[4-{[4-(2-fluorophenyl)piperazino]sulfonyl}-1-oxo-2(1H)-isoquinolinyl]acetyl}-4-piperidinecarboxylate

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

C265-0505

Molecular Formula

C29H33FN4O6S (C29 H33 FN4 O6 S)

Compound Name

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

IUPAC name

ethyl 1-[2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-12-dihydroisoquinolin-2-yl)acetyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CN(C=C(c1c2cccc1)S(N(CC1)CCN1c(cccc1)c1F)(=O)=O)C2=O)=O)=O

InChI

InChI=1S/C29H33FN4O6S/c1-2-40-29(37)21-11-13-32(14-12-21)27(35)20-33-19-26(22-7-3-4-8-23(22)28(33)36)41(38,39)34-17-15-31(16-18-34)25-10-6-5-9-24(25)30/h3-10,19,21H,2,11-18,20H2,1H3

InChI Key

LKLYZVVYYAEVON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.238

Distribution Coefficient, logD

2.238

Water Solubility, LogSw

-2.83

Polar Surface Area

88.017

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.38

C265-0505 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 C265-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C265-0505?
Check Price and Availability of C265-0505, 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 C265-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C265-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C265-0505
  • 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 C265-0505 available by request