E958-0792 Screening compound: 3,4-dimethoxy-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

E958-0792 Screening compound: 3,4-dimethoxy-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
E958-0792 Screening compound: 3,4-dimethoxy-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0792
3,4-dimethoxy-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

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

E958-0792

Molecular Formula

C25H28N6O2S (C25 H28 N6 O2 S)

Compound Name

3,4-dimethoxy-N-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

IUPAC name

34-dimethoxy-N-({1-[5-(4-phenylpiperazin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

SMILES

COc(ccc(NCc1cccn1-c1nnc(N(CC2)CCN2c2ccccc2)s1)c1)c1OC

InChI

InChI=1S/C25H28N6O2S/c1-32-22-11-10-19(17-23(22)33-2)26-18-21-9-6-12-31(21)25-28-27-24(34-25)30-15-13-29(14-16-30)20-7-4-3-5-8-20/h3-12,17,26H,13-16,18H2,1-2H3

InChI Key

UMJWJGGVPGCLGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.387

Distribution Coefficient, logD

4.387

Water Solubility, LogSw

-4.26

Polar Surface Area

58.110

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E958-0792 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E958-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0792?
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What is the minimum amount of E958-0792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0792
  • 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 E958-0792 available by request