C265-0760 Screening compound: methyl 2-(2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1-oxo-1,2-dihydroisoquinolin-2-yl}acetamido)benzoate

C265-0760 Screening compound: methyl 2-(2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1-oxo-1,2-dihydroisoquinolin-2-yl}acetamido)benzoate
C265-0760 Screening compound: methyl 2-(2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1-oxo-1,2-dihydroisoquinolin-2-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C265-0760
methyl 2-(2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1-oxo-1,2-dihydroisoquinolin-2-yl}acetamido)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

C265-0760

Molecular Formula

C25H27N3O6S (C25 H27 N3 O6 S)

Compound Name

methyl 2-(2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1-oxo-1,2-dihydroisoquinolin-2-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1-oxo-12-dihydroisoquinolin-2-yl}acetamido)benzoate

SMILES

CC(CC1)CCN1S(C(c1c2cccc1)=CN(CC(Nc(cccc1)c1C(OC)=O)=O)C2=O)(=O)=O

InChI

InChI=1S/C25H27N3O6S/c1-17-11-13-28(14-12-17)35(32,33)22-15-27(24(30)19-8-4-3-7-18(19)22)16-23(29)26-21-10-6-5-9-20(21)25(31)34-2/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,29)

InChI Key

HYIKBVIPPKLZIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.675

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-3.32

Polar Surface Area

91.537

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C265-0760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C265-0760?
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What is the minimum amount of C265-0760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C265-0760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C265-0760
  • 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 C265-0760 available by request