D041-0011 Screening compound: 8-methanesulfonyl-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D041-0011 Screening compound: 8-methanesulfonyl-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D041-0011 Screening compound: 8-methanesulfonyl-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0011
8-methanesulfonyl-1,3,7-trimethyl-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

D041-0011

Molecular Formula

C9H12N4O4S (C9 H12 N4 O4 S)

Compound Name

8-methanesulfonyl-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-methanesulfonyl-137-trimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(S(C)(=O)=O)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C9H12N4O4S/c1-11-5-6(10-8(11)18(4,16)17)12(2)9(15)13(3)7(5)14/h1-4H3

InChI Key

LITVSIIZRQQKPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03198085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.467

Distribution Coefficient, logD

-0.467

Water Solubility, LogSw

-0.86

Polar Surface Area

74.488

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D041-0011 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D041-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0011?
Check Price and Availability of D041-0011, 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 D041-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0011
  • 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 D041-0011 available by request