C096-1401 Screening compound: N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C096-1401 Screening compound: N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C096-1401 Screening compound: N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-1401
N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-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

C096-1401

Molecular Formula

C32H29FN2O5 (C32 H29 FN2 O5)

Compound Name

N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(24-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

COc1ccc(C(C(C(Nc(ccc(OC)c2)c2OC)=O)c2c3cccc2)N(Cc(cc2)ccc2F)C3=O)cc1

InChI

InChI=1S/C32H29FN2O5/c1-38-23-14-10-21(11-15-23)30-29(31(36)34-27-17-16-24(39-2)18-28(27)40-3)25-6-4-5-7-26(25)32(37)35(30)19-20-8-12-22(33)13-9-20/h4-18,29-30H,19H2,1-3H3,(H,34,36)

InChI Key

BYQYVZBMRKQCIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.393

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-5.46

Polar Surface Area

60.763

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.80

C096-1401 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C096-1401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-1401?
Check Price and Availability of C096-1401, 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 C096-1401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-1401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-1401
  • 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 C096-1401 available by request