C138-0615 Screening compound: methyl 2-[3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate

C138-0615 Screening compound: methyl 2-[3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate
C138-0615 Screening compound: methyl 2-[3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-0615
methyl 2-[3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate

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

C138-0615

Molecular Formula

C27H25FN2O6 (C27 H25 FN2 O6)

Compound Name

methyl 2-[3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate

IUPAC name

methyl 2-[3-(2-fluorophenyl)-67-dimethoxy-2-methyl-1-oxo-1234-tetrahydroisoquinoline-4-amido]benzoate

SMILES

CN(C(C(C(Nc(cccc1)c1C(OC)=O)=O)c(cc1OC)c2cc1OC)c(cccc1)c1F)C2=O

InChI

InChI=1S/C27H25FN2O6/c1-30-24(15-9-5-7-11-19(15)28)23(17-13-21(34-2)22(35-3)14-18(17)26(30)32)25(31)29-20-12-8-6-10-16(20)27(33)36-4/h5-14,23-24H,1-4H3,(H,29,31)

InChI Key

YMRPJNHDTLDWTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.79

Polar Surface Area

74.516

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.22

C138-0615 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 C138-0615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0615?
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What is the minimum amount of C138-0615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0615
  • 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 C138-0615 available by request