F598-0373 Screening compound: 1-[(4-fluorophenyl)methyl]-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

F598-0373 Screening compound: 1-[(4-fluorophenyl)methyl]-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
F598-0373 Screening compound: 1-[(4-fluorophenyl)methyl]-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 F598-0373
1-[(4-fluorophenyl)methyl]-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

F598-0373

Molecular Formula

C18H17FN8O3S2 (C18 H17 FN8 O3 S2)

Compound Name

1-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-3-{5-[(137-trimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]-134-thiadiazol-2-yl}urea

SMILES

Cn1c(Sc2nnc(NC(NCc(cc3)ccc3F)=O)s2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C18H17FN8O3S2/c1-25-11-12(26(2)18(30)27(3)13(11)28)21-16(25)32-17-24-23-15(31-17)22-14(29)20-8-9-4-6-10(19)7-5-9/h4-7H,8H2,1-3H3,(H2,20,22,23,29)

InChI Key

NOVZHKJOMRNGTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.928

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.40

Polar Surface Area

100.627

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F598-0373 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 F598-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F598-0373?
Check Price and Availability of F598-0373, 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 F598-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F598-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F598-0373
  • 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 F598-0373 available by request