8010-2616 Screening compound: 8-bromo-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8010-2616 Screening compound: 8-bromo-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8010-2616 Screening compound: 8-bromo-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2616
8-bromo-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

8010-2616

Molecular Formula

C7H7BrN4O2 (C7 H7 BrN4 O2)

Compound Name

8-bromo-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-bromo-37-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(Br)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C7H7BrN4O2/c1-11-3-4(9-6(11)8)12(2)7(14)10-5(3)13/h1-2H3,(H,10,13,14)

InChI Key

BFCGRDZSZWDOMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00224895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.462

Distribution Coefficient, logD

0.408

Water Solubility, LogSw

-1.38

Polar Surface Area

54.300

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8010-2616 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-2616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2616?
Check Price and Availability of 8010-2616, 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 8010-2616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2616
  • 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 8010-2616 available by request