F798-0630 Screening compound: N~1~-(2-chlorophenyl)-2-{[4-(2-furylmethyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

F798-0630 Screening compound: N~1~-(2-chlorophenyl)-2-{[4-(2-furylmethyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
F798-0630 Screening compound: N~1~-(2-chlorophenyl)-2-{[4-(2-furylmethyl)-5-oxo-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 F798-0630
N~1~-(2-chlorophenyl)-2-{[4-(2-furylmethyl)-5-oxo-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

F798-0630

Molecular Formula

C20H14ClN5O3S2 (C20 H14 ClN5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc(n1-c2c3scc2)nnc1N(Cc1ccco1)C3=O)Nc(cccc1)c1Cl

InChI

InChI=1S/C20H14ClN5O3S2/c21-13-5-1-2-6-14(13)22-16(27)11-31-20-24-23-19-25(10-12-4-3-8-29-12)18(28)17-15(26(19)20)7-9-30-17/h1-9H,10-11H2,(H,22,27)

InChI Key

VTZOPHAJFGGCQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.54

Polar Surface Area

70.531

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F798-0630 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with F798-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0630?
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What is the minimum amount of F798-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0630
  • 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 F798-0630 available by request