D140-0004 Screening compound: 3-(ethylsulfanyl)-5,7-dimethyl-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione

D140-0004 Screening compound: 3-(ethylsulfanyl)-5,7-dimethyl-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
D140-0004 Screening compound: 3-(ethylsulfanyl)-5,7-dimethyl-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D140-0004
3-(ethylsulfanyl)-5,7-dimethyl-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-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

D140-0004

Molecular Formula

C9H11N5O2S (C9 H11 N5 O2 S)

Compound Name

3-(ethylsulfanyl)-5,7-dimethyl-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione

IUPAC name

3-(ethylsulfanyl)-57-dimethyl-5H6H7H8H-pyrimido[45-e][124]triazine-68-dione

SMILES

CCSc(nc1N(C)C(N2C)=O)nnc1C2=O

InChI

InChI=1S/C9H11N5O2S/c1-4-17-8-10-6-5(11-12-8)7(15)14(3)9(16)13(6)2/h4H2,1-3H3

InChI Key

YMBKKPUNJHIQOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00490140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.983

Distribution Coefficient, logD

0.983

Water Solubility, LogSw

-1.36

Polar Surface Area

63.906

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D140-0004 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D140-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D140-0004?
Check Price and Availability of D140-0004, 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 D140-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D140-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D140-0004
  • 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 D140-0004 available by request