F019-5684 Screening compound: 2-chloro-N-(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

F019-5684 Screening compound: 2-chloro-N-(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide
F019-5684 Screening compound: 2-chloro-N-(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-5684
2-chloro-N-(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)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

F019-5684

Molecular Formula

C18H14ClN5OS (C18 H14 ClN5 OS)

Compound Name

2-chloro-N-(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

IUPAC name

2-chloro-N-(4-{3-ethyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)benzamide

SMILES

CCc1nnc2sc(-c(cc3)ccc3NC(c(cccc3)c3Cl)=O)nn12

InChI

InChI=1S/C18H14ClN5OS/c1-2-15-21-22-18-24(15)23-17(26-18)11-7-9-12(10-8-11)20-16(25)13-5-3-4-6-14(13)19/h3-10H,2H2,1H3,(H,20,25)

InChI Key

KKACBQZLWQSSQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05808463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-4.01

Polar Surface Area

58.061

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F019-5684 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F019-5684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-5684?
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What is the minimum amount of F019-5684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-5684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-5684
  • 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 F019-5684 available by request