C066-2460 Screening compound: N-[(3-methoxyphenyl)methyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C066-2460 Screening compound: N-[(3-methoxyphenyl)methyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C066-2460 Screening compound: N-[(3-methoxyphenyl)methyl]-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2460
N-[(3-methoxyphenyl)methyl]-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

C066-2460

Molecular Formula

C26H24N2O3 (C26 H24 N2 O3)

Compound Name

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

IUPAC name

N-[(3-methoxyphenyl)methyl]-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

COc1cccc(CNC(C(C2N3CCc4c2cccc4)c(cccc2)c2C3=O)=O)c1

InChI

InChI=1S/C26H24N2O3/c1-31-19-9-6-7-17(15-19)16-27-25(29)23-21-11-4-5-12-22(21)26(30)28-14-13-18-8-2-3-10-20(18)24(23)28/h2-12,15,23-24H,13-14,16H2,1H3,(H,27,29)

InChI Key

ZEXPGALCDGDDTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-3.85

Polar Surface Area

47.903

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

C066-2460 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 C066-2460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2460?
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What is the minimum amount of C066-2460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2460
  • 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 C066-2460 available by request