J095-0380 Screening compound: 2,9-dimethyl-8-[({5-methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-6,9-dihydro-1H-purin-6-one

J095-0380 Screening compound: 2,9-dimethyl-8-[({5-methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-6,9-dihydro-1H-purin-6-one
J095-0380 Screening compound: 2,9-dimethyl-8-[({5-methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0380
2,9-dimethyl-8-[({5-methyl-2-[4-(propan-2-yloxy)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

J095-0380

Molecular Formula

C21H23N5O3S (C21 H23 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc(cc1)ccc1-c1nc(CSc(n2C)nc3c2N=C(C)NC3=O)c(C)o1

InChI

InChI=1S/C21H23N5O3S/c1-11(2)28-15-8-6-14(7-9-15)20-24-16(12(3)29-20)10-30-21-25-17-18(26(21)5)22-13(4)23-19(17)27/h6-9,11H,10H2,1-5H3,(H,22,23,27)

InChI Key

DZQHJSGGXCUACQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.539

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-3.75

Polar Surface Area

71.337

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J095-0380 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J095-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J095-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0380
  • 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 J095-0380 available by request