E157-1995 Screening compound: N-(5-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)-4-(propan-2-yl)benzamide

E157-1995 Screening compound: N-(5-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)-4-(propan-2-yl)benzamide
E157-1995 Screening compound: N-(5-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)-4-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-1995
N-(5-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)-4-(propan-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

E157-1995

Molecular Formula

C23H27N5O3S2 (C23 H27 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1C(Nc(s1)nnc1S(N(CC1)CCN1c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C23H27N5O3S2/c1-16(2)18-6-8-19(9-7-18)21(29)24-22-25-26-23(32-22)33(30,31)28-14-12-27(13-15-28)20-10-4-17(3)5-11-20/h4-11,16H,12-15H2,1-3H3,(H,24,25,29)

InChI Key

ZCMIMVYUANDWIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-5.24

Polar Surface Area

81.621

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E157-1995 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 E157-1995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-1995?
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What is the minimum amount of E157-1995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-1995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-1995
  • 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 E157-1995 available by request