C138-0588 Screening compound: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C138-0588 Screening compound: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C138-0588 Screening compound: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-0588
3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-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

C138-0588

Molecular Formula

C26H22F4N2O4 (C26 H22 F4 N2 O4)

Compound Name

3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

3-(2-fluorophenyl)-67-dimethoxy-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(Nc1ccc(C(F)(F)F)cc1)=O)c(cc1OC)c2cc1OC)c(cccc1)c1F)C2=O

InChI

InChI=1S/C26H22F4N2O4/c1-32-23(16-6-4-5-7-19(16)27)22(17-12-20(35-2)21(36-3)13-18(17)25(32)34)24(33)31-15-10-8-14(9-11-15)26(28,29)30/h4-13,22-23H,1-3H3,(H,31,33)

InChI Key

YNDHXTCXEIBVHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.384

Distribution Coefficient, logD

4.384

Water Solubility, LogSw

-4.45

Polar Surface Area

54.040

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

C138-0588 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 C138-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0588?
Check Price and Availability of C138-0588, 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 C138-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0588
  • 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 C138-0588 available by request