C066-2444 Screening compound: N-[2-(3-methylphenyl)ethyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C066-2444 Screening compound: N-[2-(3-methylphenyl)ethyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C066-2444 Screening compound: N-[2-(3-methylphenyl)ethyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2444
N-[2-(3-methylphenyl)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

C066-2444

Molecular Formula

C27H26N2O2 (C27 H26 N2 O2)

Compound Name

N-[2-(3-methylphenyl)ethyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

N-[2-(3-methylphenyl)ethyl]-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

Cc1cccc(CCNC(C(C2N3CCc4c2cccc4)c(cccc2)c2C3=O)=O)c1

InChI

InChI=1S/C27H26N2O2/c1-18-7-6-8-19(17-18)13-15-28-26(30)24-22-11-4-5-12-23(22)27(31)29-16-14-20-9-2-3-10-21(20)25(24)29/h2-12,17,24-25H,13-16H2,1H3,(H,28,30)

InChI Key

ULKHOVYYSGIGHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.23

Polar Surface Area

40.201

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

C066-2444 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C066-2444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2444?
Check Price and Availability of C066-2444, 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 C066-2444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2444
  • 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 C066-2444 available by request