E958-0314 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

E958-0314 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
E958-0314 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0314
N-(2H-1,3-benzodioxol-5-yl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

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

E958-0314

Molecular Formula

C19H19N5O3S (C19 H19 N5 O3 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1nnc(-n2cccc2)s1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H19N5O3S/c25-17(20-14-5-6-15-16(10-14)27-12-26-15)13-4-3-9-24(11-13)19-22-21-18(28-19)23-7-1-2-8-23/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,20,25)/t13-/m0/s1

InChI Key

NGJFTVJWCYOKLM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14932669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

3.039

Water Solubility, LogSw

-3.33

Polar Surface Area

70.951

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

E958-0314 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E958-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0314?
Check Price and Availability of E958-0314, 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 E958-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0314
  • 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 E958-0314 available by request