C797-0959 Screening compound: N~7~-(2,4-dimethoxyphenethyl)-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

C797-0959 Screening compound: N~7~-(2,4-dimethoxyphenethyl)-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
C797-0959 Screening compound: N~7~-(2,4-dimethoxyphenethyl)-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0959
N~7~-(2,4-dimethoxyphenethyl)-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-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

C797-0959

Molecular Formula

C28H27N3O4S (C28 H27 N3 O4 S)

Compound Name

N~7~-(2,4-dimethoxyphenethyl)-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

IUPAC name

N-[2-(24-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene-10-carboxamide

SMILES

CCOc(cc1)ccc1-c1cn(c(ccc(C(NCCc(ccc(OC)c2)c2OC)=O)c2)c2s2)c2n1

InChI

InChI=1S/C28H27N3O4S/c1-4-35-21-9-5-18(6-10-21)23-17-31-24-12-8-20(15-26(24)36-28(31)30-23)27(32)29-14-13-19-7-11-22(33-2)16-25(19)34-3/h5-12,15-17H,4,13-14H2,1-3H3,(H,29,32)

InChI Key

HBIZJZHYPDAQDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.636

Distribution Coefficient, logD

5.617

Water Solubility, LogSw

-5.28

Polar Surface Area

55.498

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C797-0959 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C797-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0959?
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What is the minimum amount of C797-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0959
  • 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 C797-0959 available by request