3871-0070 Screening compound: 8-(ethylsulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3871-0070 Screening compound: 8-(ethylsulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3871-0070 Screening compound: 8-(ethylsulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-0070
8-(ethylsulfanyl)-1,3-dimethyl-7-[(2-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

3871-0070

Molecular Formula

C17H20N4O2S (C17 H20 N4 O2 S)

Compound Name

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

IUPAC name

8-(ethylsulfanyl)-13-dimethyl-7-[(2-methylphenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CCSc1nc(N(C)C(N(C)C2=O)=O)c2n1Cc1c(C)cccc1

InChI

InChI=1S/C17H20N4O2S/c1-5-24-16-18-14-13(15(22)20(4)17(23)19(14)3)21(16)10-12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3

InChI Key

XFYHSOJKZOABEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01995573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.05

Polar Surface Area

43.286

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 3871-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0070?
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What is the minimum amount of 3871-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0070
  • 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 3871-0070 available by request