E958-0084 Screening compound: 1-propyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine

E958-0084 Screening compound: 1-propyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine
E958-0084 Screening compound: 1-propyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0084
1-propyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}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

E958-0084

Molecular Formula

C19H28N6OS (C19 H28 N6 OS)

Compound Name

1-propyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine

IUPAC name

1-propyl-4-{1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine

SMILES

CCCN(CC1)CCN1C(C(CC1)CCN1c1nnc(-n2cccc2)s1)=O

InChI

InChI=1S/C19H28N6OS/c1-2-7-22-12-14-23(15-13-22)17(26)16-5-10-25(11-6-16)19-21-20-18(27-19)24-8-3-4-9-24/h3-4,8-9,16H,2,5-7,10-15H2,1H3

InChI Key

CGRVTNVAXWSPTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.456

Distribution Coefficient, logD

2.005

Water Solubility, LogSw

-2.22

Polar Surface Area

51.249

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

E958-0084 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E958-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0084?
Check Price and Availability of E958-0084, 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 E958-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0084
  • 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 E958-0084 available by request