3601-0795 Screening compound: 8-chloro-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3601-0795 Screening compound: 8-chloro-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3601-0795 Screening compound: 8-chloro-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0795
8-chloro-1,3-dimethyl-7-propyl-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

3601-0795

Molecular Formula

C10H13ClN4O2 (C10 H13 ClN4 O2)

Compound Name

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

IUPAC name

8-chloro-13-dimethyl-7-propyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCn1c(Cl)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C10H13ClN4O2/c1-4-5-15-6-7(12-9(15)11)13(2)10(17)14(3)8(6)16/h4-5H2,1-3H3

InChI Key

IISVEVGHLRHTOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.69

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

1.988

Distribution Coefficient, logD

1.988

Water Solubility, LogSw

-2.54

Polar Surface Area

44.173

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3601-0795 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3601-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0795?
Check Price and Availability of 3601-0795, 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 3601-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0795
  • 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 3601-0795 available by request