E958-0909 Screening compound: 1-(4-methoxyphenyl)-4-({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)piperazine

E958-0909 Screening compound: 1-(4-methoxyphenyl)-4-({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)piperazine
E958-0909 Screening compound: 1-(4-methoxyphenyl)-4-({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0909
1-(4-methoxyphenyl)-4-({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)piperazine

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

E958-0909

Molecular Formula

C22H28N6OS (C22 H28 N6 OS)

Compound Name

1-(4-methoxyphenyl)-4-({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)piperazine

IUPAC name

1-(4-methoxyphenyl)-4-({1-[5-(pyrrolidin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)piperazine

SMILES

COc(cc1)ccc1N1CCN(Cc2cccn2-c2nnc(N3CCCC3)s2)CC1

InChI

InChI=1S/C22H28N6OS/c1-29-20-8-6-18(7-9-20)26-15-13-25(14-16-26)17-19-5-4-12-28(19)22-24-23-21(30-22)27-10-2-3-11-27/h4-9,12H,2-3,10-11,13-17H2,1H3

InChI Key

QKXQEZLEELCWPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-3.96

Polar Surface Area

44.257

Acid Dissociation Constant (pKa)

22.09

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with E958-0909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0909?
Check Price and Availability of E958-0909, 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 E958-0909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0909
  • 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 E958-0909 available by request