3628-0050 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide

3628-0050 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide
3628-0050 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3628-0050
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide

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

3628-0050

Molecular Formula

C15H14N4O3S2 (C15 H14 N4 O3 S2)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-[(5-ethyl-46-dioxo-1456-tetrahydropyrimidin-2-yl)sulfanyl]acetamide

SMILES

CCC(C(NC(SCC(Nc1nc(cccc2)c2s1)=O)=N1)=O)C1=O

InChI

InChI=1S/C15H14N4O3S2/c1-2-8-12(21)18-14(19-13(8)22)23-7-11(20)17-15-16-9-5-3-4-6-10(9)24-15/h3-6,8H,2,7H2,1H3,(H,16,17,20)(H,18,19,21,22)

InChI Key

JPNGUJNPFXFWDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01925911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.952

Distribution Coefficient, logD

-3.232

Water Solubility, LogSw

-2.49

Polar Surface Area

81.205

Acid Dissociation Constant (pKa)

2.22

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

3628-0050 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3628-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3628-0050?
Check Price and Availability of 3628-0050, 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 3628-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3628-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3628-0050
  • 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 3628-0050 available by request