C096-1488 Screening compound: methyl 2-({2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl}formamido)acetate

C096-1488 Screening compound: methyl 2-({2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl}formamido)acetate
C096-1488 Screening compound: methyl 2-({2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl}formamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-1488
methyl 2-({2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl}formamido)acetate

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

C096-1488

Molecular Formula

C27H25FN2O5 (C27 H25 FN2 O5)

Compound Name

methyl 2-({2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl}formamido)acetate

IUPAC name

methyl 2-({2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1234-tetrahydroisoquinolin-4-yl}formamido)acetate

SMILES

COC(CNC(C(C(c(cc1)ccc1OC)N1Cc(cc2)ccc2F)c(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C27H25FN2O5/c1-34-20-13-9-18(10-14-20)25-24(26(32)29-15-23(31)35-2)21-5-3-4-6-22(21)27(33)30(25)16-17-7-11-19(28)12-8-17/h3-14,24-25H,15-16H2,1-2H3,(H,29,32)

InChI Key

XIVJWRFLYHRTJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

3.074

Water Solubility, LogSw

-3.48

Polar Surface Area

68.459

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

C096-1488 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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 C096-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-1488?
Check Price and Availability of C096-1488, 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 C096-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-1488
  • 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 C096-1488 available by request