E626-0915 Screening compound: N-(3-methylbutyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide

E626-0915 Screening compound: N-(3-methylbutyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
E626-0915 Screening compound: N-(3-methylbutyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E626-0915
N-(3-methylbutyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][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

E626-0915

Molecular Formula

C22H29N5OS (C22 H29 N5 OS)

Compound Name

N-(3-methylbutyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide

IUPAC name

N-(3-methylbutyl)-1-[6-(4-methylphenyl)imidazo[21-b][134]thiadiazol-2-yl]piperidine-3-carboxamide

SMILES

CC(C)CCNC(C(CCC1)CN1c(s1)nn2c1nc(-c1ccc(C)cc1)c2)=O

InChI

InChI=1S/C22H29N5OS/c1-15(2)10-11-23-20(28)18-5-4-12-26(13-18)22-25-27-14-19(24-21(27)29-22)17-8-6-16(3)7-9-17/h6-9,14-15,18H,4-5,10-13H2,1-3H3,(H,23,28)/t18-/m0/s1

InChI Key

NZHOWSOVWGKIDK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14905086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.09

Polar Surface Area

48.986

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E626-0915 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E626-0915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E626-0915?
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What is the minimum amount of E626-0915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E626-0915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E626-0915
  • 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 E626-0915 available by request