8017-3216 Screening compound: 8-(3-bromophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

8017-3216 Screening compound: 8-(3-bromophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8017-3216 Screening compound: 8-(3-bromophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3216
8-(3-bromophenoxy)-1,3,7-trimethyl-3,7-dihydro-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

8017-3216

Molecular Formula

C14H13BrN4O3 (C14 H13 BrN4 O3)

Compound Name

8-(3-bromophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

8-(3-bromophenoxy)-137-trimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(Oc2cccc(Br)c2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C14H13BrN4O3/c1-17-10-11(18(2)14(21)19(3)12(10)20)16-13(17)22-9-6-4-5-8(15)7-9/h4-7H,1-3H3

InChI Key

WKQFGNBJLCCZJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.936

Water Solubility, LogSw

-3.30

Polar Surface Area

50.834

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

References: we are preparing a list of scientific research reports with 8017-3216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3216?
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What is the minimum amount of 8017-3216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3216
  • 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 8017-3216 available by request