C138-0570 Screening compound: N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C138-0570 Screening compound: N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C138-0570 Screening compound: N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-0570
N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-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

C138-0570

Molecular Formula

C25H21ClF2N2O4 (C25 H21 ClF2 N2 O4)

Compound Name

N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-67-dimethoxy-2-methyl-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(Nc(cc1)cc(Cl)c1F)=O)c(cc1OC)c2cc1OC)c(cccc1)c1F)C2=O

InChI

InChI=1S/C25H21ClF2N2O4/c1-30-23(14-6-4-5-7-18(14)27)22(24(31)29-13-8-9-19(28)17(26)10-13)15-11-20(33-2)21(34-3)12-16(15)25(30)32/h4-12,22-23H,1-3H3,(H,29,31)

InChI Key

KBRGILHLAARZTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-4.61

Polar Surface Area

54.040

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

C138-0570 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 C138-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0570?
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What is the minimum amount of C138-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0570
  • 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 C138-0570 available by request