E157-1827 Screening compound: 4-fluoro-N-(5-{[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)benzamide

E157-1827 Screening compound: 4-fluoro-N-(5-{[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)benzamide
E157-1827 Screening compound: 4-fluoro-N-(5-{[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-1827
4-fluoro-N-(5-{[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}-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

E157-1827

Molecular Formula

C20H20FN5O3S2 (C20 H20 FN5 O3 S2)

Compound Name

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

IUPAC name

4-fluoro-N-(5-{[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}-134-thiadiazol-2-yl)benzamide

SMILES

Cc(cccc1)c1N(CC1)CCN1S(c1nnc(NC(c(cc2)ccc2F)=O)s1)(=O)=O

InChI

InChI=1S/C20H20FN5O3S2/c1-14-4-2-3-5-17(14)25-10-12-26(13-11-25)31(28,29)20-24-23-19(30-20)22-18(27)15-6-8-16(21)9-7-15/h2-9H,10-13H2,1H3,(H,22,23,27)

InChI Key

KTBAQOOYZRUANL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.066

Distribution Coefficient, logD

1.523

Water Solubility, LogSw

-4.06

Polar Surface Area

81.320

Acid Dissociation Constant (pKa)

4.86

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E157-1827 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E157-1827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-1827?
Check Price and Availability of E157-1827, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E157-1827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-1827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-1827
  • 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 E157-1827 available by request