C115-0037 Screening compound: N-{[(4-bromo-2-methylphenyl)carbamoyl]methyl}-2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

C115-0037 Screening compound: N-{[(4-bromo-2-methylphenyl)carbamoyl]methyl}-2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide
C115-0037 Screening compound: N-{[(4-bromo-2-methylphenyl)carbamoyl]methyl}-2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0037
N-{[(4-bromo-2-methylphenyl)carbamoyl]methyl}-2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)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

C115-0037

Molecular Formula

C21H20BrN3O3 (C21 H20 BrN3 O3)

Compound Name

N-{[(4-bromo-2-methylphenyl)carbamoyl]methyl}-2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

IUPAC name

N-{[(4-bromo-2-methylphenyl)carbamoyl]methyl}-2-(3-methyl-1-oxo-12-dihydroisoquinolin-2-yl)acetamide

SMILES

Cc(cc(cc1)Br)c1NC(CNC(CN(C(C)=Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C21H20BrN3O3/c1-13-9-16(22)7-8-18(13)24-19(26)11-23-20(27)12-25-14(2)10-15-5-3-4-6-17(15)21(25)28/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,26)

InChI Key

BTBIIUUFJDSZCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.75

Polar Surface Area

62.078

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C115-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0037?
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What is the minimum amount of C115-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0037
  • 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 C115-0037 available by request