3320-0119 Screening compound: 8-BROMO-7-(2-HYDROXY-3-PHENOXYPROPYL)-3-METHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

3320-0119 Screening compound: 8-BROMO-7-(2-HYDROXY-3-PHENOXYPROPYL)-3-METHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
3320-0119 Screening compound: 8-BROMO-7-(2-HYDROXY-3-PHENOXYPROPYL)-3-METHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3320-0119
8-BROMO-7-(2-HYDROXY-3-PHENOXYPROPYL)-3-METHYL-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

3320-0119

Molecular Formula

C15H15BrN4O4 (C15 H15 BrN4 O4)

Compound Name

8-BROMO-7-(2-HYDROXY-3-PHENOXYPROPYL)-3-METHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

IUPAC name

n/a

SMILES

CN(c1c(C(N2)=O)n(CC(COc3ccccc3)O)c(Br)n1)C2=O

InChI

InChI=1S/C15H15BrN4O4/c1-19-12-11(13(22)18-15(19)23)20(14(16)17-12)7-9(21)8-24-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H,18,22,23)/t9-/m0/s1

InChI Key

SRABDIMTIAXGMA-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00230200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

2.031

Water Solubility, LogSw

-2.76

Polar Surface Area

77.337

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.00

3320-0119 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3320-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3320-0119?
Check Price and Availability of 3320-0119, 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 3320-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3320-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3320-0119
  • 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 3320-0119 available by request