7706-0130 Screening compound: (isoquinolin-1-yl)(4-methoxyphenyl)methyl 3-nitrobenzoate

7706-0130 Screening compound: (isoquinolin-1-yl)(4-methoxyphenyl)methyl 3-nitrobenzoate
7706-0130 Screening compound: (isoquinolin-1-yl)(4-methoxyphenyl)methyl 3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0130
(isoquinolin-1-yl)(4-methoxyphenyl)methyl 3-nitrobenzoate

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

7706-0130

Molecular Formula

C24H18N2O5 (C24 H18 N2 O5)

Compound Name

(isoquinolin-1-yl)(4-methoxyphenyl)methyl 3-nitrobenzoate

IUPAC name

(isoquinolin-1-yl)(4-methoxyphenyl)methyl 3-nitrobenzoate

SMILES

COc1ccc(C(c2nccc3ccccc23)OC(c2cccc([N+]([O-])=O)c2)=O)cc1

InChI

InChI=1S/C24H18N2O5/c1-30-20-11-9-17(10-12-20)23(22-21-8-3-2-5-16(21)13-14-25-22)31-24(27)18-6-4-7-19(15-18)26(28)29/h2-15,23H,1H3/t23-/m0/s1

InChI Key

LVWRWWYJZNDQQN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02656142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.457

Distribution Coefficient, logD

5.457

Water Solubility, LogSw

-6.39

Polar Surface Area

70.573

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

7706-0130 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7706-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0130?
Check Price and Availability of 7706-0130, 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 7706-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0130
  • 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 7706-0130 available by request