F798-0550 Screening compound: N~1~-(2-ethyl-6-methylphenyl)-2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

F798-0550 Screening compound: N~1~-(2-ethyl-6-methylphenyl)-2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
F798-0550 Screening compound: N~1~-(2-ethyl-6-methylphenyl)-2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F798-0550
N~1~-(2-ethyl-6-methylphenyl)-2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-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

F798-0550

Molecular Formula

C23H21N5O2S3 (C23 H21 N5 O2 S3)

Compound Name

N~1~-(2-ethyl-6-methylphenyl)-2-{[5-oxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

IUPAC name

N-(2-ethyl-6-methylphenyl)-2-({7-oxo-8-[(thiophen-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}sulfanyl)acetamide

SMILES

CCc(cccc1C)c1NC(CSc(n1-c2c3scc2)nnc1N(Cc1cccs1)C3=O)=O

InChI

InChI=1S/C23H21N5O2S3/c1-3-15-7-4-6-14(2)19(15)24-18(29)13-33-23-26-25-22-27(12-16-8-5-10-31-16)21(30)20-17(28(22)23)9-11-32-20/h4-11H,3,12-13H2,1-2H3,(H,24,29)

InChI Key

WCAJKBMYIDBVNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-4.18

Polar Surface Area

63.102

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F798-0550 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with F798-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0550?
Check Price and Availability of F798-0550, 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 F798-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0550
  • 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 F798-0550 available by request