4258-0064 Screening compound: 3-amino-2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

4258-0064 Screening compound: 3-amino-2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
4258-0064 Screening compound: 3-amino-2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4258-0064
3-amino-2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

4258-0064

Molecular Formula

C17H17N3OS (C17 H17 N3 OS)

Compound Name

3-amino-2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-amino-5-benzyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

NN(C(Cc1ccccc1)=Nc1c2c(CCCC3)c3s1)C2=O

InChI

InChI=1S/C17H17N3OS/c18-20-14(10-11-6-2-1-3-7-11)19-16-15(17(20)21)12-8-4-5-9-13(12)22-16/h1-3,6-7H,4-5,8-10,18H2

InChI Key

PDRJMGLVHBUVFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01416530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.011

Distribution Coefficient, logD

3.011

Water Solubility, LogSw

-3.34

Polar Surface Area

41.806

Acid Dissociation Constant (pKa)

16.29

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

4258-0064 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4258-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4258-0064?
Check Price and Availability of 4258-0064, 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 4258-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4258-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4258-0064
  • 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 4258-0064 available by request