8016-2452 Screening compound: 3-amino-1-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

8016-2452 Screening compound: 3-amino-1-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
8016-2452 Screening compound: 3-amino-1-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2452
3-amino-1-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-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

8016-2452

Molecular Formula

C11H13N3O2S (C11 H13 N3 O2 S)

Compound Name

3-amino-1-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

4-amino-6-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CN(c(sc1c2CCCC1)c2C(N1N)=O)C1=O

InChI

InChI=1S/C11H13N3O2S/c1-13-10-8(9(15)14(12)11(13)16)6-4-2-3-5-7(6)17-10/h2-5,12H2,1H3

InChI Key

ZHLFRCKBJQHNJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.409

Distribution Coefficient, logD

1.409

Water Solubility, LogSw

-1.55

Polar Surface Area

48.453

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

8016-2452 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Eye
Targets:
  • Proteases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-2452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2452?
Check Price and Availability of 8016-2452, 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 8016-2452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2452
  • 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 8016-2452 available by request