E626-0822 Screening compound: 1-{1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carbonyl}azepane

E626-0822 Screening compound: 1-{1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carbonyl}azepane
E626-0822 Screening compound: 1-{1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound E626-0822
1-{1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carbonyl}azepane

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

E626-0822

Molecular Formula

C23H29N5OS (C23 H29 N5 OS)

Compound Name

1-{1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carbonyl}azepane

IUPAC name

1-{1-[6-(4-methylphenyl)imidazo[21-b][134]thiadiazol-2-yl]piperidine-3-carbonyl}azepane

SMILES

Cc(cc1)ccc1-c1cn2nc(N(CCC3)CC3C(N3CCCCCC3)=O)sc2n1

InChI

InChI=1S/C23H29N5OS/c1-17-8-10-18(11-9-17)20-16-28-22(24-20)30-23(25-28)27-14-6-7-19(15-27)21(29)26-12-4-2-3-5-13-26/h8-11,16,19H,2-7,12-15H2,1H3/t19-/m0/s1

InChI Key

KGLDNXHSBRCTDJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14905061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

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

4.757

Distribution Coefficient, logD

4.757

Water Solubility, LogSw

-4.34

Polar Surface Area

41.439

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

E626-0822 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E626-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E626-0822?
Check Price and Availability of E626-0822, 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 E626-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E626-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E626-0822
  • 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 E626-0822 available by request