C265-0522 Screening compound: 4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2-dihydroisoquinolin-1-one

C265-0522 Screening compound: 4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2-dihydroisoquinolin-1-one
C265-0522 Screening compound: 4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C265-0522
4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2-dihydroisoquinolin-1-one

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

C265-0522

Molecular Formula

C27H31FN4O4S (C27 H31 FN4 O4 S)

Compound Name

4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2-dihydroisoquinolin-1-one

IUPAC name

4-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-12-dihydroisoquinolin-1-one

SMILES

CC(CCC1)CN1C(CN(C=C(c1c2cccc1)S(N(CC1)CCN1c(cccc1)c1F)(=O)=O)C2=O)=O

InChI

InChI=1S/C27H31FN4O4S/c1-20-7-6-12-30(17-20)26(33)19-31-18-25(21-8-2-3-9-22(21)27(31)34)37(35,36)32-15-13-29(14-16-32)24-11-5-4-10-23(24)28/h2-5,8-11,18,20H,6-7,12-17,19H2,1H3/t20-/m0/s1

InChI Key

HKRUEXKIIXQINP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14739391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.692

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-3.43

Polar Surface Area

67.196

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

C265-0522 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 C265-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C265-0522?
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What is the minimum amount of C265-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C265-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C265-0522
  • 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 C265-0522 available by request