7282-5795 Screening compound: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5795 Screening compound: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5795 Screening compound: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5795
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-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

7282-5795

Molecular Formula

C18H20BrN5O3 (C18 H20 BrN5 O3)

Compound Name

7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(3-bromophenyl)methyl]-13-dimethyl-8-(morpholin-4-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc3cccc(Br)c3)c(N3CCOCC3)n1)C2=O

InChI

InChI=1S/C18H20BrN5O3/c1-21-15-14(16(25)22(2)18(21)26)24(11-12-4-3-5-13(19)10-12)17(20-15)23-6-8-27-9-7-23/h3-5,10H,6-9,11H2,1-2H3

InChI Key

JCFLDXXOLMIRIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00837011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.13

Polar Surface Area

53.606

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

7282-5795 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7282-5795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5795?
Check Price and Availability of 7282-5795, 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 7282-5795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5795
  • 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 7282-5795 available by request