E157-6082 Screening compound: 2-fluoro-N-{5-[methyl(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}benzamide

E157-6082 Screening compound: 2-fluoro-N-{5-[methyl(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}benzamide
E157-6082 Screening compound: 2-fluoro-N-{5-[methyl(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-6082
2-fluoro-N-{5-[methyl(3-methylphenyl)sulfamoyl]-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

E157-6082

Molecular Formula

C17H15FN4O3S2 (C17 H15 FN4 O3 S2)

Compound Name

2-fluoro-N-{5-[methyl(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

2-fluoro-N-{5-[methyl(3-methylphenyl)sulfamoyl]-134-thiadiazol-2-yl}benzamide

SMILES

Cc1cccc(N(C)S(c2nnc(NC(c(cccc3)c3F)=O)s2)(=O)=O)c1

InChI

InChI=1S/C17H15FN4O3S2/c1-11-6-5-7-12(10-11)22(2)27(24,25)17-21-20-16(26-17)19-15(23)13-8-3-4-9-14(13)18/h3-10H,1-2H3,(H,19,20,23)

InChI Key

PLRKWIWBBKFTBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-4.23

Polar Surface Area

79.471

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

-8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E157-6082 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 E157-6082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-6082?
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What is the minimum amount of E157-6082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-6082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-6082
  • 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 E157-6082 available by request