P588-1144 Screening compound: 2-[2-(4-METHYLPHENYL)-6H-1,4,5,6,8A-PENTAAZAACENAPHTHYLEN-6-YL]-N-PHENYLACETAMIDE

P588-1144 Screening compound: 2-[2-(4-METHYLPHENYL)-6H-1,4,5,6,8A-PENTAAZAACENAPHTHYLEN-6-YL]-N-PHENYLACETAMIDE
P588-1144 Screening compound: 2-[2-(4-METHYLPHENYL)-6H-1,4,5,6,8A-PENTAAZAACENAPHTHYLEN-6-YL]-N-PHENYLACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P588-1144
2-[2-(4-METHYLPHENYL)-6H-1,4,5,6,8A-PENTAAZAACENAPHTHYLEN-6-YL]-N-PHENYLACETAMIDE

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

P588-1144

Molecular Formula

C22H18N6O (C22 H18 N6 O)

Compound Name

2-[2-(4-METHYLPHENYL)-6H-1,4,5,6,8A-PENTAAZAACENAPHTHYLEN-6-YL]-N-PHENYLACETAMIDE

IUPAC name

2-[3-(4-methylphenyl)-12679-pentaazatricyclo[6.3.1.0^{412}]dodeca-24(12)5710-pentaen-9-yl]-N-phenylacetamide

SMILES

Cc(cc1)ccc1-c1nn2c3c1cnnc3N(CC(Nc1ccccc1)=O)C=C2

InChI

InChI=1S/C22H18N6O/c1-15-7-9-16(10-8-15)20-18-13-23-25-22-21(18)28(26-20)12-11-27(22)14-19(29)24-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,24,29)

InChI Key

ISWMVHSXKGTJQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.492

Distribution Coefficient, logD

0.340

Water Solubility, LogSw

-2.70

Polar Surface Area

58.889

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

P588-1144 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P588-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P588-1144?
Check Price and Availability of P588-1144, 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 P588-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P588-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P588-1144
  • 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 P588-1144 available by request