E958-2000 Screening compound: N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,5-dimethoxyaniline

E958-2000 Screening compound: N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,5-dimethoxyaniline
E958-2000 Screening compound: N-({1-[5-(4-ethylpiperazin-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 E958-2000
N-({1-[5-(4-ethylpiperazin-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

E958-2000

Molecular Formula

C21H28N6O2S (C21 H28 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1c1nnc(-n2c(CNc3cc(OC)cc(OC)c3)ccc2)s1

InChI

InChI=1S/C21H28N6O2S/c1-4-25-8-10-26(11-9-25)20-23-24-21(30-20)27-7-5-6-17(27)15-22-16-12-18(28-2)14-19(13-16)29-3/h5-7,12-14,22H,4,8-11,15H2,1-3H3

InChI Key

WHDQDPZFLDZBHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

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

3.530

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-3.70

Polar Surface Area

58.213

Acid Dissociation Constant (pKa)

18.41

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with E958-2000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-2000?
Check Price and Availability of E958-2000, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E958-2000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-2000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-2000
  • 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 E958-2000 available by request