F599-0295 Screening compound: 3-chloro-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}benzamide

F599-0295 Screening compound: 3-chloro-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}benzamide
F599-0295 Screening compound: 3-chloro-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}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F599-0295
3-chloro-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}benzamide

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

F599-0295

Molecular Formula

C17H14ClN7O3S2 (C17 H14 ClN7 O3 S2)

Compound Name

3-chloro-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}benzamide

IUPAC name

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

SMILES

Cn1c(Sc2nnc(NC(c3cccc(Cl)c3)=O)s2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C17H14ClN7O3S2/c1-23-10-11(24(2)17(28)25(3)13(10)27)19-15(23)30-16-22-21-14(29-16)20-12(26)8-5-4-6-9(18)7-8/h4-7H,1-3H3,(H,20,21,26)

InChI Key

WCYYMSAMCQCAPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.857

Distribution Coefficient, logD

3.597

Water Solubility, LogSw

-4.31

Polar Surface Area

90.093

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

F599-0295 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 F599-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F599-0295?
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What is the minimum amount of F599-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F599-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F599-0295
  • 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 F599-0295 available by request