C926-0198 Screening compound: 2-[4-(benzyloxy)phenyl]-9-(3-chlorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

C926-0198 Screening compound: 2-[4-(benzyloxy)phenyl]-9-(3-chlorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
C926-0198 Screening compound: 2-[4-(benzyloxy)phenyl]-9-(3-chlorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C926-0198
2-[4-(benzyloxy)phenyl]-9-(3-chlorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-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

C926-0198

Molecular Formula

C25H18ClN5O3 (C25 H18 ClN5 O3)

Compound Name

2-[4-(benzyloxy)phenyl]-9-(3-chlorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

2-[4-(benzyloxy)phenyl]-9-(3-chlorophenyl)-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

NC(c(nc(-c(cc1)ccc1OCc1ccccc1)nc1N2c3cccc(Cl)c3)c1NC2=O)=O

InChI

InChI=1S/C25H18ClN5O3/c26-17-7-4-8-18(13-17)31-24-21(29-25(31)33)20(22(27)32)28-23(30-24)16-9-11-19(12-10-16)34-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,27,32)(H,29,33)

InChI Key

PWXUHRMHTPDORE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.001

Distribution Coefficient, logD

4.749

Water Solubility, LogSw

-5.34

Polar Surface Area

85.838

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

C926-0198 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C926-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C926-0198?
Check Price and Availability of C926-0198, 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 C926-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C926-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C926-0198
  • 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 C926-0198 available by request