C128-0013 Screening compound: N-(2-bromo-4-methylphenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide

C128-0013 Screening compound: N-(2-bromo-4-methylphenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide
C128-0013 Screening compound: N-(2-bromo-4-methylphenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C128-0013
N-(2-bromo-4-methylphenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide

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

C128-0013

Molecular Formula

C24H20BrN3O2 (C24 H20 BrN3 O2)

Compound Name

N-(2-bromo-4-methylphenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide

IUPAC name

N-(2-bromo-4-methylphenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide

SMILES

Cc(cc1)cc(Br)c1NC(c(c1ccccc11)cnc1Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C24H20BrN3O2/c1-15-7-12-22(21(25)13-15)28-24(29)20-14-26-23(19-6-4-3-5-18(19)20)27-16-8-10-17(30-2)11-9-16/h3-14H,1-2H3,(H,26,27)(H,28,29)

InChI Key

TYDBUDZAAOAREX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

5.805

Water Solubility, LogSw

-5.60

Polar Surface Area

48.594

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with C128-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C128-0013?
Check Price and Availability of C128-0013, 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 C128-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C128-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C128-0013
  • 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 C128-0013 available by request