C240-0016 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C240-0016 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C240-0016 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C240-0016
N-(3-chloro-4-methoxyphenyl)-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

C240-0016

Molecular Formula

C25H21ClN2O3 (C25 H21 ClN2 O3)

Compound Name

N-(3-chloro-4-methoxyphenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

COc(ccc(NC(C(C1N2CCc3c1cccc3)c(cccc1)c1C2=O)=O)c1)c1Cl

InChI

InChI=1S/C25H21ClN2O3/c1-31-21-11-10-16(14-20(21)26)27-24(29)22-18-8-4-5-9-19(18)25(30)28-13-12-15-6-2-3-7-17(15)23(22)28/h2-11,14,22-23H,12-13H2,1H3,(H,27,29)

InChI Key

CDBRJEXMOOVSOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-4.74

Polar Surface Area

46.668

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

C240-0016 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C240-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C240-0016?
Check Price and Availability of C240-0016, 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 C240-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C240-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C240-0016
  • 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 C240-0016 available by request