J095-0393 Screening compound: 8-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-2,9-dimethyl-6,9-dihydro-1H-purin-6-one

J095-0393 Screening compound: 8-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-2,9-dimethyl-6,9-dihydro-1H-purin-6-one
J095-0393 Screening compound: 8-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-2,9-dimethyl-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0393
8-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-2,9-dimethyl-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

J095-0393

Molecular Formula

C19H18N4O4S (C19 H18 N4 O4 S)

Compound Name

8-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-2,9-dimethyl-6,9-dihydro-1H-purin-6-one

IUPAC name

8-{[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-29-dimethyl-69-dihydro-1H-purin-6-one

SMILES

CCOc(cc1)cc(C(CSc(n2C)nc3c2N=C(C)NC3=O)=C2)c1OC2=O

InChI

InChI=1S/C19H18N4O4S/c1-4-26-12-5-6-14-13(8-12)11(7-15(24)27-14)9-28-19-22-16-17(23(19)3)20-10(2)21-18(16)25/h5-8H,4,9H2,1-3H3,(H,20,21,25)

InChI Key

HKGMGNYXYYDNGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.443

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-3.13

Polar Surface Area

73.943

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

J095-0393 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J095-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0393?
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What is the minimum amount of J095-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0393
  • 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 J095-0393 available by request