3601-0818 Screening compound: 8-chloro-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3601-0818 Screening compound: 8-chloro-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3601-0818 Screening compound: 8-chloro-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0818
8-chloro-1,3-dimethyl-7-[(4-methylphenyl)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

3601-0818

Molecular Formula

C15H15ClN4O2 (C15 H15 ClN4 O2)

Compound Name

8-chloro-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-chloro-13-dimethyl-7-[(4-methylphenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1ccc(Cn2c(Cl)nc(N(C)C(N3C)=O)c2C3=O)cc1

InChI

InChI=1S/C15H15ClN4O2/c1-9-4-6-10(7-5-9)8-20-11-12(17-14(20)16)18(2)15(22)19(3)13(11)21/h4-7H,8H2,1-3H3

InChI Key

DYRYXTPTSASCCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.76

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

3.118

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.36

Polar Surface Area

43.923

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

3601-0818 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 3601-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0818?
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What is the minimum amount of 3601-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0818
  • 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 3601-0818 available by request