P814-6413 Screening compound: 5-chloro-N~2~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]-2-thiophenesulfonamide

P814-6413 Screening compound: 5-chloro-N~2~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]-2-thiophenesulfonamide
P814-6413 Screening compound: 5-chloro-N~2~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-6413
5-chloro-N~2~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]-2-thiophenesulfonamide

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

P814-6413

Molecular Formula

C11H10ClN5O3S2 (C11 H10 ClN5 O3 S2)

Compound Name

5-chloro-N~2~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]-2-thiophenesulfonamide

IUPAC name

n/a

SMILES

O=C1N(CCNS(c(s2)ccc2Cl)(=O)=O)c2ncncc2N1

InChI

InChI=1S/C11H10ClN5O3S2/c12-8-1-2-9(21-8)22(19,20)15-3-4-17-10-7(16-11(17)18)5-13-6-14-10/h1-2,5-6,15H,3-4H2,(H,16,18)

InChI Key

JDKZWQCFNKGVJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.82

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.662

Distribution Coefficient, logD

1.662

Water Solubility, LogSw

-2.68

Polar Surface Area

91.493

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P814-6413 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P814-6413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-6413?
Check Price and Availability of P814-6413, 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 P814-6413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-6413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-6413
  • 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 P814-6413 available by request