E958-0717 Screening compound: 3-fluoro-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

E958-0717 Screening compound: 3-fluoro-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
E958-0717 Screening compound: 3-fluoro-N-({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0717
3-fluoro-N-({1-[5-(4-methylpiperidin-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

E958-0717

Molecular Formula

C19H22FN5S (C19 H22 FN5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1c1nnc(-n2c(CNc3cc(F)ccc3)ccc2)s1

InChI

InChI=1S/C19H22FN5S/c1-14-7-10-24(11-8-14)18-22-23-19(26-18)25-9-3-6-17(25)13-21-16-5-2-4-15(20)12-16/h2-6,9,12,14,21H,7-8,10-11,13H2,1H3

InChI Key

CYKDSHHHBQGDJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.43

Polar Surface Area

39.589

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E958-0717 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E958-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0717?
Check Price and Availability of E958-0717, 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 E958-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0717
  • 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 E958-0717 available by request