C138-0608 Screening compound: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-1-one

C138-0608 Screening compound: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-1-one
C138-0608 Screening compound: 3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-0608
3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-1-one

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

C138-0608

Molecular Formula

C29H30FN3O4 (C29 H30 FN3 O4)

Compound Name

3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-1-one

IUPAC name

3-(2-fluorophenyl)-67-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-1234-tetrahydroisoquinolin-1-one

SMILES

CN(C(C(C(N(CC1)CCN1c1ccccc1)=O)c(cc1OC)c2cc1OC)c(cccc1)c1F)C2=O

InChI

InChI=1S/C29H30FN3O4/c1-31-27(20-11-7-8-12-23(20)30)26(21-17-24(36-2)25(37-3)18-22(21)28(31)34)29(35)33-15-13-32(14-16-33)19-9-5-4-6-10-19/h4-12,17-18,26-27H,13-16H2,1-3H3

InChI Key

IQLUWMWYRBNCDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.461

Water Solubility, LogSw

-3.81

Polar Surface Area

50.858

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

C138-0608 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 C138-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0608?
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What is the minimum amount of C138-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0608
  • 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 C138-0608 available by request