E958-0961 Screening compound: N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,5-dimethoxyaniline

E958-0961 Screening compound: N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,5-dimethoxyaniline
E958-0961 Screening compound: N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,5-dimethoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0961
N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,5-dimethoxyaniline

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

E958-0961

Molecular Formula

C25H34N6O2S (C25 H34 N6 O2 S)

Compound Name

N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,5-dimethoxyaniline

IUPAC name

N-({1-[5-(4-cyclohexylpiperazin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-35-dimethoxyaniline

SMILES

COc1cc(NCc2cccn2-c2nnc(N(CC3)CCN3C3CCCCC3)s2)cc(OC)c1

InChI

InChI=1S/C25H34N6O2S/c1-32-22-15-19(16-23(17-22)33-2)26-18-21-9-6-10-31(21)25-28-27-24(34-25)30-13-11-29(12-14-30)20-7-4-3-5-8-20/h6,9-10,15-17,20,26H,3-5,7-8,11-14,18H2,1-2H3

InChI Key

QUSMJIIVYJCFQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.024

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.63

Polar Surface Area

57.770

Acid Dissociation Constant (pKa)

18.41

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with E958-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0961?
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What is the minimum amount of E958-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0961
  • 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 E958-0961 available by request