P580-0875 Screening compound: 2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(4-methoxybenzyl)acetamide

P580-0875 Screening compound: 2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(4-methoxybenzyl)acetamide
P580-0875 Screening compound: 2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(4-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P580-0875
2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(4-methoxybenzyl)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

P580-0875

Molecular Formula

C19H19N5O3S (C19 H19 N5 O3 S)

Compound Name

2-[2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl]-N~1~-(4-methoxybenzyl)acetamide

IUPAC name

2-{511-dimethyl-2-oxo-10-thia-14812-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)5811-tetraen-4-yl}-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

Cc1cc(N=C2SC(C)=NN2C2=O)c2n1CC(NCc(cc1)ccc1OC)=O

InChI

InChI=1S/C19H19N5O3S/c1-11-8-15-17(18(26)24-19(21-15)28-12(2)22-24)23(11)10-16(25)20-9-13-4-6-14(27-3)7-5-13/h4-8H,9-10H2,1-3H3,(H,20,25)

InChI Key

LRWRPCGNWHKDGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.078

Distribution Coefficient, logD

2.077

Water Solubility, LogSw

-2.80

Polar Surface Area

70.553

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

P580-0875 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Anti-HIV1 Library (19540 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
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P580-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P580-0875?
Check Price and Availability of P580-0875, 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 P580-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P580-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P580-0875
  • 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 P580-0875 available by request