P814-4416 Screening compound: 2-ethyl-N~1~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]-1-benzenesulfonamide

P814-4416 Screening compound: 2-ethyl-N~1~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]-1-benzenesulfonamide
P814-4416 Screening compound: 2-ethyl-N~1~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-4416
2-ethyl-N~1~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]-1-benzenesulfonamide

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

P814-4416

Molecular Formula

C15H17N5O3S (C15 H17 N5 O3 S)

Compound Name

2-ethyl-N~1~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]-1-benzenesulfonamide

IUPAC name

n/a

SMILES

CCc(cccc1)c1S(NCCN(c1ncncc1N1)C1=O)(=O)=O

InChI

InChI=1S/C15H17N5O3S/c1-2-11-5-3-4-6-13(11)24(22,23)18-7-8-20-14-12(19-15(20)21)9-16-10-17-14/h3-6,9-10,18H,2,7-8H2,1H3,(H,19,21)

InChI Key

QJWWNQZKAKHVBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.953

Distribution Coefficient, logD

1.952

Water Solubility, LogSw

-2.38

Polar Surface Area

90.475

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

P814-4416 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P814-4416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-4416?
Check Price and Availability of P814-4416, 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 P814-4416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-4416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-4416
  • 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 P814-4416 available by request