J095-0141 Screening compound: 9-methyl-8-[({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-6,9-dihydro-1H-purin-6-one

J095-0141 Screening compound: 9-methyl-8-[({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-6,9-dihydro-1H-purin-6-one
J095-0141 Screening compound: 9-methyl-8-[({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0141
9-methyl-8-[({5-methyl-2-[4-(propan-2-yl)phenyl]-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

J095-0141

Molecular Formula

C20H21N5O2S (C20 H21 N5 O2 S)

Compound Name

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

IUPAC name

9-methyl-8-[({5-methyl-2-[4-(propan-2-yl)phenyl]-13-oxazol-4-yl}methyl)sulfanyl]-69-dihydro-1H-purin-6-one

SMILES

CC(C)c(cc1)ccc1-c1nc(CSc(n2C)nc3c2N=CNC3=O)c(C)o1

InChI

InChI=1S/C20H21N5O2S/c1-11(2)13-5-7-14(8-6-13)19-23-15(12(3)27-19)9-28-20-24-16-17(25(20)4)21-10-22-18(16)26/h5-8,10-11H,9H2,1-4H3,(H,21,22,26)

InChI Key

WTYJBIQBWFOIHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

3.524

Water Solubility, LogSw

-3.71

Polar Surface Area

66.634

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with J095-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0141?
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What is the minimum amount of J095-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0141
  • 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 J095-0141 available by request