F599-0289 Screening compound: N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

F599-0289 Screening compound: N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
F599-0289 Screening compound: N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F599-0289
N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

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

F599-0289

Molecular Formula

C18H15N7O5S2 (C18 H15 N7 O5 S2)

Compound Name

N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{5-[(137-trimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]-134-thiadiazol-2-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

Cn1c(Sc2nnc(NC(c(cc3)cc4c3OCO4)=O)s2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C18H15N7O5S2/c1-23-11-12(24(2)18(28)25(3)14(11)27)19-16(23)32-17-22-21-15(31-17)20-13(26)8-4-5-9-10(6-8)30-7-29-9/h4-6H,7H2,1-3H3,(H,20,21,26)

InChI Key

UVYWIGGSTYJMDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14960433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.111

Water Solubility, LogSw

-3.43

Polar Surface Area

107.209

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F599-0289 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F599-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F599-0289?
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What is the minimum amount of F599-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F599-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F599-0289
  • 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 F599-0289 available by request