8003-7698 Screening compound: N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2,2,2-trifluoroacetamide

8003-7698 Screening compound: N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2,2,2-trifluoroacetamide
8003-7698 Screening compound: N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7698
N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2,2,2-trifluoroacetamide

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

8003-7698

Molecular Formula

C12H11F3N4O3S2 (C12 H11 F3 N4 O3 S2)

Compound Name

N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-2,2,2-trifluoroacetamide

IUPAC name

N-{4-[(5-ethyl-134-thiadiazol-2-yl)sulfamoyl]phenyl}-222-trifluoroacetamide

SMILES

CCc1nnc(NS(c(cc2)ccc2NC(C(F)(F)F)=O)(=O)=O)s1

InChI

InChI=1S/C12H11F3N4O3S2/c1-2-9-17-18-11(23-9)19-24(21,22)8-5-3-7(4-6-8)16-10(20)12(13,14)15/h3-6H,2H2,1H3,(H,16,20)(H,18,19)

InChI Key

BKIYBPSXHTVTBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00736274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.378

Distribution Coefficient, logD

0.192

Water Solubility, LogSw

-2.97

Polar Surface Area

88.291

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8003-7698 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-7698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7698?
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What is the minimum amount of 8003-7698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7698
  • 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 8003-7698 available by request