E958-0876 Screening compound: 4-methoxy-N-({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

E958-0876 Screening compound: 4-methoxy-N-({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
E958-0876 Screening compound: 4-methoxy-N-({1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0876
4-methoxy-N-({1-[5-(pyrrolidin-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

E958-0876

Molecular Formula

C18H21N5OS (C18 H21 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NCc1cccn1-c1nnc(N2CCCC2)s1

InChI

InChI=1S/C18H21N5OS/c1-24-16-8-6-14(7-9-16)19-13-15-5-4-12-23(15)18-21-20-17(25-18)22-10-2-3-11-22/h4-9,12,19H,2-3,10-11,13H2,1H3

InChI Key

DZUQLJORUCPVMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.06

Polar Surface Area

47.499

Acid Dissociation Constant (pKa)

20.04

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E958-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0876?
Check Price and Availability of E958-0876, 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 E958-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0876
  • 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 E958-0876 available by request