7418-1993 Screening compound: N-(5-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-methylphenyl)-3-fluorobenzamide

7418-1993 Screening compound: N-(5-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-methylphenyl)-3-fluorobenzamide
7418-1993 Screening compound: N-(5-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-methylphenyl)-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7418-1993
N-(5-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-methylphenyl)-3-fluorobenzamide

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

7418-1993

Molecular Formula

C19H16FN5OS (C19 H16 FN5 OS)

Compound Name

N-(5-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-methylphenyl)-3-fluorobenzamide

IUPAC name

N-(5-{3-ethyl-[124]triazolo[34-b][134]thiadiazol-6-yl}-2-methylphenyl)-3-fluorobenzamide

SMILES

CCc1nnc2sc(-c3cc(NC(c4cc(F)ccc4)=O)c(C)cc3)nn12

InChI

InChI=1S/C19H16FN5OS/c1-3-16-22-23-19-25(16)24-18(27-19)13-8-7-11(2)15(10-13)21-17(26)12-5-4-6-14(20)9-12/h4-10H,3H2,1-2H3,(H,21,26)

InChI Key

WBJVHOWPLIASEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05829772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

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

3.518

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.72

Polar Surface Area

57.363

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

7418-1993 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 7418-1993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7418-1993?
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What is the minimum amount of 7418-1993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7418-1993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7418-1993
  • 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 7418-1993 available by request