D226-0167 Screening compound: 8-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0167 Screening compound: 8-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0167 Screening compound: 8-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0167
8-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-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

D226-0167

Molecular Formula

C20H15ClN6O2S (C20 H15 ClN6 O2 S)

Compound Name

8-(1H-1,3-benzodiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(1H-13-benzodiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(Cc(cccc3)c3Cl)c(Sc3nc(cccc4)c4[nH]3)n1)C2=O

InChI

InChI=1S/C20H15ClN6O2S/c1-26-16-15(17(28)25-19(26)29)27(10-11-6-2-3-7-12(11)21)20(24-16)30-18-22-13-8-4-5-9-14(13)23-18/h2-9H,10H2,1H3,(H,22,23)(H,25,28,29)

InChI Key

GQPRLZURSUIKAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01186434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

4.105

Water Solubility, LogSw

-4.30

Polar Surface Area

69.942

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D226-0167 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D226-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0167?
Check Price and Availability of D226-0167, 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 D226-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0167
  • 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 D226-0167 available by request