7599-1683 Screening compound: 1-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7599-1683 Screening compound: 1-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7599-1683 Screening compound: 1-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7599-1683
1-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

7599-1683

Molecular Formula

C18H19N5O4 (C18 H19 N5 O4)

Compound Name

1-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-{[3-(2-methoxyphenyl)-45-dihydro-12-oxazol-5-yl]methyl}-37-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(C(N(CC(C2)ON=C2c(cccc2)c2OC)C(N2C)=O)=O)c2nc1

InChI

InChI=1S/C18H19N5O4/c1-21-10-19-16-15(21)17(24)23(18(25)22(16)2)9-11-8-13(20-27-11)12-6-4-5-7-14(12)26-3/h4-7,10-11H,8-9H2,1-3H3/t11-/m1/s1

InChI Key

AQWXLNOOWSMTKT-LLVKDONJSA-N

MDL Number (MFCD)

MFCD04179784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.269

Distribution Coefficient, logD

1.269

Water Solubility, LogSw

-2.03

Polar Surface Area

74.217

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

7599-1683 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 7599-1683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7599-1683?
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What is the minimum amount of 7599-1683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7599-1683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7599-1683
  • 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 7599-1683 available by request