E958-0951 Screening compound: [2-(2-methoxyphenyl)ethyl]({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine

E958-0951 Screening compound: [2-(2-methoxyphenyl)ethyl]({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine
E958-0951 Screening compound: [2-(2-methoxyphenyl)ethyl]({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0951
[2-(2-methoxyphenyl)ethyl]({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine

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

E958-0951

Molecular Formula

C20H25N5OS (C20 H25 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CCNCc2cccn2-c2nnc(N3CCCC3)s2)cccc1

InChI

InChI=1S/C20H25N5OS/c1-26-18-9-3-2-7-16(18)10-11-21-15-17-8-6-14-25(17)20-23-22-19(27-20)24-12-4-5-13-24/h2-3,6-9,14,21H,4-5,10-13,15H2,1H3

InChI Key

DCFNVTOKBTWHJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.009

Water Solubility, LogSw

-3.71

Polar Surface Area

48.958

Acid Dissociation Constant (pKa)

22.09

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with E958-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0951?
Check Price and Availability of E958-0951, 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 E958-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0951
  • 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 E958-0951 available by request