7541-0119 Screening compound: 4-fluoro-N-{2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl}benzamide

7541-0119 Screening compound: 4-fluoro-N-{2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl}benzamide
7541-0119 Screening compound: 4-fluoro-N-{2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7541-0119
4-fluoro-N-{2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl}benzamide

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

7541-0119

Molecular Formula

C13H9FN4O2S (C13 H9 FN4 O2 S)

Compound Name

4-fluoro-N-{2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl}benzamide

IUPAC name

4-fluoro-N-{2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-6-yl}benzamide

SMILES

CC(SC1=NC=C2NC(c(cc3)ccc3F)=O)=NN1C2=O

InChI

InChI=1S/C13H9FN4O2S/c1-7-17-18-12(20)10(6-15-13(18)21-7)16-11(19)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,16,19)

InChI Key

BLSUFFATMCNMTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05846892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.470

Distribution Coefficient, logD

-0.512

Water Solubility, LogSw

-2.35

Polar Surface Area

61.019

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

7541-0119 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with 7541-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7541-0119?
Check Price and Availability of 7541-0119, 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 7541-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7541-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7541-0119
  • 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 7541-0119 available by request