F598-0349 Screening compound: 1-(3-chlorophenyl)-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

F598-0349 Screening compound: 1-(3-chlorophenyl)-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
F598-0349 Screening compound: 1-(3-chlorophenyl)-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 F598-0349
1-(3-chlorophenyl)-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

F598-0349

Molecular Formula

C17H15ClN8O3S2 (C17 H15 ClN8 O3 S2)

Compound Name

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

SMILES

Cn1c(Sc2nnc(NC(Nc3cccc(Cl)c3)=O)s2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C17H15ClN8O3S2/c1-24-10-11(25(2)17(29)26(3)12(10)27)20-15(24)31-16-23-22-14(30-16)21-13(28)19-9-6-4-5-8(18)7-9/h4-7H,1-3H3,(H2,19,21,22,28)

InChI Key

ZKOILEMVEVWXTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.56

Polar Surface Area

99.305

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

F598-0349 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 F598-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F598-0349?
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What is the minimum amount of F598-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F598-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F598-0349
  • 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 F598-0349 available by request