7282-5790 Screening compound: 1-[(4-bromophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5790 Screening compound: 1-[(4-bromophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5790 Screening compound: 1-[(4-bromophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5790
1-[(4-bromophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-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

7282-5790

Molecular Formula

C19H18BrN5O3 (C19 H18 BrN5 O3)

Compound Name

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

IUPAC name

1-[(4-bromophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-37-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(NCc2ccco2)nc(N(C)C(N2Cc(cc3)ccc3Br)=O)c1C2=O

InChI

InChI=1S/C19H18BrN5O3/c1-23-15-16(22-18(23)21-10-14-4-3-9-28-14)24(2)19(27)25(17(15)26)11-12-5-7-13(20)8-6-12/h3-9H,10-11H2,1-2H3,(H,21,22)

InChI Key

QDPRFPKTZHYMBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02225750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-3.90

Polar Surface Area

63.639

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7282-5790 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 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

References: we are preparing a list of scientific research reports with 7282-5790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5790?
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What is the minimum amount of 7282-5790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5790
  • 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 7282-5790 available by request