E958-1166 Screening compound: 1-methyl-4-(5-{2-[(piperidin-1-yl)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperazine

E958-1166 Screening compound: 1-methyl-4-(5-{2-[(piperidin-1-yl)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperazine
E958-1166 Screening compound: 1-methyl-4-(5-{2-[(piperidin-1-yl)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1166
1-methyl-4-(5-{2-[(piperidin-1-yl)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)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

E958-1166

Molecular Formula

C17H26N6S (C17 H26 N6 S)

Compound Name

1-methyl-4-(5-{2-[(piperidin-1-yl)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperazine

IUPAC name

1-methyl-4-(5-{2-[(piperidin-1-yl)methyl]-1H-pyrrol-1-yl}-134-thiadiazol-2-yl)piperazine

SMILES

CN(CC1)CCN1c1nnc(-n2c(CN3CCCCC3)ccc2)s1

InChI

InChI=1S/C17H26N6S/c1-20-10-12-22(13-11-20)16-18-19-17(24-16)23-9-5-6-15(23)14-21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10-14H2,1H3

InChI Key

IIXIUQULVWFMQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.293

Distribution Coefficient, logD

1.564

Water Solubility, LogSw

-2.36

Polar Surface Area

36.563

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

E958-1166 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E958-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1166?
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What is the minimum amount of E958-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1166
  • 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 E958-1166 available by request