8010-9016 Screening compound: 7-(3-bromobenzyl)-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

8010-9016 Screening compound: 7-(3-bromobenzyl)-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8010-9016 Screening compound: 7-(3-bromobenzyl)-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9016
7-(3-bromobenzyl)-8-chloro-1,3-dimethyl-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

8010-9016

Molecular Formula

C14H12BrClN4O2 (C14 H12 BrClN4 O2)

Compound Name

7-(3-bromobenzyl)-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H12BrClN4O2/c1-18-11-10(12(21)19(2)14(18)22)20(13(16)17-11)7-8-4-3-5-9(15)6-8/h3-6H,7H2,1-2H3

InChI Key

JIAXKKAZTVDJAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01555788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.74

Polar Surface Area

43.923

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8010-9016 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-9016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9016?
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What is the minimum amount of 8010-9016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9016
  • 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 8010-9016 available by request