8008-8569 Screening compound: methyl 2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate

8008-8569 Screening compound: methyl 2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
8008-8569 Screening compound: methyl 2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8569
methyl 2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate

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

8008-8569

Molecular Formula

C11H14N4O4S (C11 H14 N4 O4 S)

Compound Name

methyl 2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate

IUPAC name

methyl 2-[(137-trimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]acetate

SMILES

Cn1c(SCC(OC)=O)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C11H14N4O4S/c1-13-7-8(12-10(13)20-5-6(16)19-4)14(2)11(18)15(3)9(7)17/h5H2,1-4H3

InChI Key

AJXKTUCCRXELPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01439838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.703

Distribution Coefficient, logD

0.702

Water Solubility, LogSw

-1.10

Polar Surface Area

64.947

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

8008-8569 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-8569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8569?
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What is the minimum amount of 8008-8569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8569
  • 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 8008-8569 available by request