E235-1094 Screening compound: [2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(2-pyrimidinyl)piperazino]methanone

E235-1094 Screening compound: [2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(2-pyrimidinyl)piperazino]methanone
E235-1094 Screening compound: [2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(2-pyrimidinyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-1094
[2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(2-pyrimidinyl)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

E235-1094

Molecular Formula

C25H22N6O2S (C25 H22 N6 O2 S)

Compound Name

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

IUPAC name

4-(3-methoxyphenyl)-10-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene

SMILES

COc1cccc(-c2cn(c(ccc(C(N(CC3)CCN3c3ncccn3)=O)c3)c3s3)c3n2)c1

InChI

InChI=1S/C25H22N6O2S/c1-33-19-5-2-4-17(14-19)20-16-31-21-7-6-18(15-22(21)34-25(31)28-20)23(32)29-10-12-30(13-11-29)24-26-8-3-9-27-24/h2-9,14-16H,10-13H2,1H3

InChI Key

IBONYZHXPZPLSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-4.21

Polar Surface Area

54.760

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E235-1094 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E235-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-1094?
Check Price and Availability of E235-1094, 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 E235-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-1094
  • 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 E235-1094 available by request