F598-0339 Screening compound: 1-(3-acetylphenyl)-3-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea

F598-0339 Screening compound: 1-(3-acetylphenyl)-3-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
F598-0339 Screening compound: 1-(3-acetylphenyl)-3-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F598-0339
1-(3-acetylphenyl)-3-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea

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

F598-0339

Molecular Formula

C19H18N8O4S2 (C19 H18 N8 O4 S2)

Compound Name

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

IUPAC name

1-(3-acetylphenyl)-3-{5-[(137-trimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]-134-thiadiazol-2-yl}urea

SMILES

CC(c1cccc(NC(Nc2nnc(Sc3nc(N(C)C(N(C)C4=O)=O)c4n3C)s2)=O)c1)=O

InChI

InChI=1S/C19H18N8O4S2/c1-9(28)10-6-5-7-11(8-10)20-15(30)22-16-23-24-18(32-16)33-17-21-13-12(25(17)2)14(29)27(4)19(31)26(13)3/h5-8H,1-4H3,(H2,20,22,23,30)

InChI Key

XIACOONSYIVISJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.77

Polar Surface Area

113.132

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

F598-0339 in Drug Discovery

Included in Screening Libraries

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 F598-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F598-0339?
Check Price and Availability of F598-0339, 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 F598-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F598-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F598-0339
  • 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 F598-0339 available by request