C066-1702 Screening compound: 1-[(3-chloro-4-methylphenyl)amino]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide

C066-1702 Screening compound: 1-[(3-chloro-4-methylphenyl)amino]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide
C066-1702 Screening compound: 1-[(3-chloro-4-methylphenyl)amino]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1702
1-[(3-chloro-4-methylphenyl)amino]-N-(4-phenoxyphenyl)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

C066-1702

Molecular Formula

C29H22ClN3O2 (C29 H22 ClN3 O2)

Compound Name

1-[(3-chloro-4-methylphenyl)amino]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide

IUPAC name

1-[(3-chloro-4-methylphenyl)amino]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide

SMILES

Cc(ccc(Nc1ncc(C(Nc(cc2)ccc2Oc2ccccc2)=O)c2ccccc12)c1)c1Cl

InChI

InChI=1S/C29H22ClN3O2/c1-19-11-12-21(17-27(19)30)32-28-25-10-6-5-9-24(25)26(18-31-28)29(34)33-20-13-15-23(16-14-20)35-22-7-3-2-4-8-22/h2-18H,1H3,(H,31,32)(H,33,34)

InChI Key

XMUAOTYIPLDWIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.927

Distribution Coefficient, logD

7.923

Water Solubility, LogSw

-6.53

Polar Surface Area

48.495

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

References: we are preparing a list of scientific research reports with C066-1702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1702?
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What is the minimum amount of C066-1702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1702
  • 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 C066-1702 available by request