6646-0004 Screening compound: 2,2-diphenyl-2-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}acetic acid

6646-0004 Screening compound: 2,2-diphenyl-2-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}acetic acid
6646-0004 Screening compound: 2,2-diphenyl-2-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6646-0004
2,2-diphenyl-2-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}acetic acid

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

6646-0004

Molecular Formula

C24H23N5O5S (C24 H23 N5 O5 S)

Compound Name

2,2-diphenyl-2-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}acetic acid

IUPAC name

22-diphenyl-2-{2-[(137-trimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}acetic acid

SMILES

Cn1c(SCC(NC(C(O)=O)(c2ccccc2)c2ccccc2)=O)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C24H23N5O5S/c1-27-18-19(28(2)23(34)29(3)20(18)31)25-22(27)35-14-17(30)26-24(21(32)33,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,26,30)(H,32,33)

InChI Key

MKRSKQKSWWHHRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.613

Distribution Coefficient, logD

-1.249

Water Solubility, LogSw

-3.08

Polar Surface Area

96.095

Acid Dissociation Constant (pKa)

3.54

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

6646-0004 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleoside Mimetics Library (2197 compounds)

Antibacterial Compounds Library (13827 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 6646-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6646-0004?
Check Price and Availability of 6646-0004, 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 6646-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6646-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6646-0004
  • 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 6646-0004 available by request