C265-0564 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide

C265-0564 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide
C265-0564 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C265-0564
2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)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

C265-0564

Molecular Formula

C29H29FN4O5S (C29 H29 FN4 O5 S)

Compound Name

2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide

IUPAC name

2-(4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1-oxo-12-dihydroisoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide

SMILES

Cc(cc1)cc(NC(CN(C=C(c2c3cccc2)S(N(CC2)CCN2c(cccc2)c2F)(=O)=O)C3=O)=O)c1OC

InChI

InChI=1S/C29H29FN4O5S/c1-20-11-12-26(39-2)24(17-20)31-28(35)19-33-18-27(21-7-3-4-8-22(21)29(33)36)40(37,38)34-15-13-32(14-16-34)25-10-6-5-9-23(25)30/h3-12,17-18H,13-16,19H2,1-2H3,(H,31,35)

InChI Key

VOXUFZMRWFMHJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.213

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.72

Polar Surface Area

80.953

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C265-0564 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 C265-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C265-0564?
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What is the minimum amount of C265-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C265-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C265-0564
  • 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 C265-0564 available by request