E958-1121 Screening compound: 3-methoxy-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

E958-1121 Screening compound: 3-methoxy-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
E958-1121 Screening compound: 3-methoxy-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1121
3-methoxy-N-({1-[5-(4-methylpiperazin-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

E958-1121

Molecular Formula

C19H24N6OS (C19 H24 N6 OS)

Compound Name

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

IUPAC name

3-methoxy-N-({1-[5-(4-methylpiperazin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

SMILES

CN(CC1)CCN1c1nnc(-n2c(CNc3cc(OC)ccc3)ccc2)s1

InChI

InChI=1S/C19H24N6OS/c1-23-9-11-24(12-10-23)18-21-22-19(27-18)25-8-4-6-16(25)14-20-15-5-3-7-17(13-15)26-2/h3-8,13,20H,9-12,14H2,1-2H3

InChI Key

POCJODWEIQTJMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

2.373

Water Solubility, LogSw

-3.33

Polar Surface Area

50.609

Acid Dissociation Constant (pKa)

19.39

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with E958-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1121?
Check Price and Availability of E958-1121, 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 E958-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1121
  • 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 E958-1121 available by request