E958-1179 Screening compound: N-(3-ethoxy-4-methoxybenzyl){1-[5-(4-methylpiperazino)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanamine

E958-1179 Screening compound: N-(3-ethoxy-4-methoxybenzyl){1-[5-(4-methylpiperazino)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanamine
E958-1179 Screening compound: N-(3-ethoxy-4-methoxybenzyl){1-[5-(4-methylpiperazino)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1179
N-(3-ethoxy-4-methoxybenzyl){1-[5-(4-methylpiperazino)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanamine

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

E958-1179

Molecular Formula

C22H30N6O2S (C22 H30 N6 O2 S)

Compound Name

N-(3-ethoxy-4-methoxybenzyl){1-[5-(4-methylpiperazino)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanamine

IUPAC name

[(3-ethoxy-4-methoxyphenyl)methyl]({1-[5-(4-methylpiperazin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine

SMILES

CCOc(cc(CNCc1cccn1-c1nnc(N2CCN(C)CC2)s1)cc1)c1OC

InChI

InChI=1S/C22H30N6O2S/c1-4-30-20-14-17(7-8-19(20)29-3)15-23-16-18-6-5-9-28(18)22-25-24-21(31-22)27-12-10-26(2)11-13-27/h5-9,14,23H,4,10-13,15-16H2,1-3H3

InChI Key

NPLVOWLLWOICRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

1.626

Water Solubility, LogSw

-2.79

Polar Surface Area

59.437

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

References: we are preparing a list of scientific research reports with E958-1179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1179?
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What is the minimum amount of E958-1179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1179
  • 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 E958-1179 available by request