C301-6659 Screening compound: ethyl 4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-6-methyl-8-sulfanyl-9H-purin-9-yl)benzoate

C301-6659 Screening compound: ethyl 4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-6-methyl-8-sulfanyl-9H-purin-9-yl)benzoate
C301-6659 Screening compound: ethyl 4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-6-methyl-8-sulfanyl-9H-purin-9-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6659
ethyl 4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-6-methyl-8-sulfanyl-9H-purin-9-yl)benzoate

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

C301-6659

Molecular Formula

C24H23N5O4S (C24 H23 N5 O4 S)

Compound Name

ethyl 4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-6-methyl-8-sulfanyl-9H-purin-9-yl)benzoate

IUPAC name

ethyl 4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-6-methyl-8-sulfanyl-9H-purin-9-yl)benzoate

SMILES

CCOC(c(cc1)ccc1Nc(nc1C)nc(n2-c(cc3)ccc3C(OCC)=O)c1nc2S)=O

InChI

InChI=1S/C24H23N5O4S/c1-4-32-21(30)15-6-10-17(11-7-15)26-23-25-14(3)19-20(28-23)29(24(34)27-19)18-12-8-16(9-13-18)22(31)33-5-2/h6-13H,4-5H2,1-3H3,(H,27,34)(H,25,26,28)

InChI Key

PHIXOHHSNZDNQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.680

Distribution Coefficient, logD

5.668

Water Solubility, LogSw

-5.51

Polar Surface Area

82.297

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C301-6659 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Nucleoside Mimetics Library (2197 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C301-6659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6659?
Check Price and Availability of C301-6659, 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 C301-6659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6659
  • 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 C301-6659 available by request