E626-1123 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide

E626-1123 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
E626-1123 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E626-1123
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[6-(4-fluorophenyl)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

E626-1123

Molecular Formula

C24H28FN5OS (C24 H28 FN5 OS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[6-(4-fluorophenyl)imidazo[21-b][134]thiadiazol-2-yl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c(s1)nn2c1nc(-c(cc1)ccc1F)c2)NCCC1=CCCCC1

InChI

InChI=1S/C24H28FN5OS/c25-20-10-8-18(9-11-20)21-16-30-23(27-21)32-24(28-30)29-14-4-7-19(15-29)22(31)26-13-12-17-5-2-1-3-6-17/h5,8-11,16,19H,1-4,6-7,12-15H2,(H,26,31)/t19-/m0/s1

InChI Key

XJTYZKMVZCXKAO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14905137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.58

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

4.552

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.30

Polar Surface Area

48.906

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

E626-1123 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E626-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E626-1123?
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What is the minimum amount of E626-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E626-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E626-1123
  • 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 E626-1123 available by request