E958-0116 Screening compound: 1-ethyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine

E958-0116 Screening compound: 1-ethyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine
E958-0116 Screening compound: 1-ethyl-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 E958-0116
1-ethyl-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

E958-0116

Molecular Formula

C18H26N6OS (C18 H26 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H26N6OS/c1-2-21-11-13-22(14-12-21)16(25)15-5-9-24(10-6-15)18-20-19-17(26-18)23-7-3-4-8-23/h3-4,7-8,15H,2,5-6,9-14H2,1H3

InChI Key

HSKVXDPFCFUVKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.989

Distribution Coefficient, logD

1.549

Water Solubility, LogSw

-1.91

Polar Surface Area

50.996

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

E958-0116 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E958-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0116?
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What is the minimum amount of E958-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0116
  • 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 E958-0116 available by request