C115-0535 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C115-0535 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C115-0535 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0535
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-3-(4-methoxyphenyl)-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

C115-0535

Molecular Formula

C33H39ClN4O5 (C33 H39 ClN4 O5)

Compound Name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-67-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(NCCCN(CC1)CCN1c1cccc(Cl)c1)=O)c(cc1OC)c2cc1OC)c(cc1)ccc1OC)C2=O

InChI

InChI=1S/C33H39ClN4O5/c1-36-31(22-9-11-25(41-2)12-10-22)30(26-20-28(42-3)29(43-4)21-27(26)33(36)40)32(39)35-13-6-14-37-15-17-38(18-16-37)24-8-5-7-23(34)19-24/h5,7-12,19-21,30-31H,6,13-18H2,1-4H3,(H,35,39)

InChI Key

NKCJNPCFDREIMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

607.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.572

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-4.00

Polar Surface Area

69.991

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.40

C115-0535 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C115-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0535?
Check Price and Availability of C115-0535, 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 C115-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0535
  • 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 C115-0535 available by request