E958-0823 Screening compound: 1-[5-(2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-phenylpiperazine

E958-0823 Screening compound: 1-[5-(2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-phenylpiperazine
E958-0823 Screening compound: 1-[5-(2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0823
1-[5-(2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-phenylpiperazine

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

E958-0823

Molecular Formula

C27H30FN7S (C27 H30 FN7 S)

Compound Name

1-[5-(2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-phenylpiperazine

IUPAC name

1-[5-(2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]-4-phenylpiperazine

SMILES

Fc(cc1)ccc1N1CCN(Cc2cccn2-c2nnc(N(CC3)CCN3c3ccccc3)s2)CC1

InChI

InChI=1S/C27H30FN7S/c28-22-8-10-24(11-9-22)32-15-13-31(14-16-32)21-25-7-4-12-35(25)27-30-29-26(36-27)34-19-17-33(18-20-34)23-5-2-1-3-6-23/h1-12H,13-21H2

InChI Key

XOFPSGDZADTOPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.65

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.75

Polar Surface Area

39.607

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E958-0823 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E958-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0823?
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What is the minimum amount of E958-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0823
  • 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 E958-0823 available by request