C797-0986 Screening compound: [2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(2-furylcarbonyl)piperazino]methanone

C797-0986 Screening compound: [2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(2-furylcarbonyl)piperazino]methanone
C797-0986 Screening compound: [2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(2-furylcarbonyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0986
[2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(2-furylcarbonyl)piperazino]methanone

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

C797-0986

Molecular Formula

C27H24N4O4S (C27 H24 N4 O4 S)

Compound Name

[2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(2-furylcarbonyl)piperazino]methanone

IUPAC name

4-(4-ethoxyphenyl)-10-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene

SMILES

CCOc(cc1)ccc1-c1cn(c(ccc(C(N(CC2)CCN2C(c2ccco2)=O)=O)c2)c2s2)c2n1

InChI

InChI=1S/C27H24N4O4S/c1-2-34-20-8-5-18(6-9-20)21-17-31-22-10-7-19(16-24(22)36-27(31)28-21)25(32)29-11-13-30(14-12-29)26(33)23-4-3-15-35-23/h3-10,15-17H,2,11-14H2,1H3

InChI Key

WJASVXMXMPHONW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.957

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-3.81

Polar Surface Area

57.751

Acid Dissociation Constant (pKa)

29.03

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C797-0986 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C797-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0986?
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What is the minimum amount of C797-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0986
  • 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 C797-0986 available by request