J095-0386 Screening compound: 2,9-dimethyl-8-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-6,9-dihydro-1H-purin-6-one

J095-0386 Screening compound: 2,9-dimethyl-8-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-6,9-dihydro-1H-purin-6-one
J095-0386 Screening compound: 2,9-dimethyl-8-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0386
2,9-dimethyl-8-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-6,9-dihydro-1H-purin-6-one

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

J095-0386

Molecular Formula

C21H23N5O5S (C21 H23 N5 O5 S)

Compound Name

2,9-dimethyl-8-({[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-6,9-dihydro-1H-purin-6-one

IUPAC name

29-dimethyl-8-({[5-methyl-2-(345-trimethoxyphenyl)-13-oxazol-4-yl]methyl}sulfanyl)-69-dihydro-1H-purin-6-one

SMILES

Cc1c(CSc(n2C)nc3c2N=C(C)NC3=O)nc(-c(cc2OC)cc(OC)c2OC)o1

InChI

InChI=1S/C21H23N5O5S/c1-10-13(9-32-21-25-16-18(26(21)3)22-11(2)23-19(16)27)24-20(31-10)12-7-14(28-4)17(30-6)15(8-12)29-5/h7-8H,9H2,1-6H3,(H,22,23,27)

InChI Key

UDDHQXIMPZISOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.450

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-2.87

Polar Surface Area

87.512

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J095-0386 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J095-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0386?
Check Price and Availability of J095-0386, 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 J095-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0386
  • 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 J095-0386 available by request