C066-2437 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C066-2437 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C066-2437 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2437
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-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

C066-2437

Molecular Formula

C31H34N4O2 (C31 H34 N4 O2)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

O=C(C(C1N2CCc3c1cccc3)c(cccc1)c1C2=O)NCCN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C31H34N4O2/c36-30(32-15-17-33-18-20-34(21-19-33)22-23-8-2-1-3-9-23)28-26-12-6-7-13-27(26)31(37)35-16-14-24-10-4-5-11-25(24)29(28)35/h1-13,28-29H,14-22H2,(H,32,36)

InChI Key

LRXORLSFCRUXEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.64

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

3.252

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.50

Polar Surface Area

47.724

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

C066-2437 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-2437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2437?
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What is the minimum amount of C066-2437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2437
  • 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 C066-2437 available by request