P580-0098 Screening compound: 6-(2-fluorobenzyl)-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one

P580-0098 Screening compound: 6-(2-fluorobenzyl)-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one
P580-0098 Screening compound: 6-(2-fluorobenzyl)-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P580-0098
6-(2-fluorobenzyl)-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-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

P580-0098

Molecular Formula

C16H13FN4OS (C16 H13 FN4 OS)

Compound Name

6-(2-fluorobenzyl)-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one

IUPAC name

4-[(2-fluorophenyl)methyl]-511-dimethyl-10-thia-14812-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)5811-tetraen-2-one

SMILES

Cc1cc(N=C2SC(C)=NN2C2=O)c2n1Cc(cccc1)c1F

InChI

InChI=1S/C16H13FN4OS/c1-9-7-13-14(15(22)21-16(18-13)23-10(2)19-21)20(9)8-11-5-3-4-6-12(11)17/h3-7H,8H2,1-2H3

InChI Key

DTPBIVHTDZGSQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.41

Polar Surface Area

38.538

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

P580-0098 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P580-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P580-0098?
Check Price and Availability of P580-0098, 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 P580-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P580-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P580-0098
  • 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 P580-0098 available by request