E235-1596 Screening compound: N~7~-(4-isopropoxybenzyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxamide

E235-1596 Screening compound: N~7~-(4-isopropoxybenzyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxamide
E235-1596 Screening compound: N~7~-(4-isopropoxybenzyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-1596
N~7~-(4-isopropoxybenzyl)-2-phenylimidazo[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

E235-1596

Molecular Formula

C26H23N3O2S (C26 H23 N3 O2 S)

Compound Name

N~7~-(4-isopropoxybenzyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxamide

IUPAC name

4-phenyl-N-{[4-(propan-2-yloxy)phenyl]methyl}-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene-10-carboxamide

SMILES

CC(C)Oc1ccc(CNC(c(cc2)cc(s3)c2n2c3nc(-c3ccccc3)c2)=O)cc1

InChI

InChI=1S/C26H23N3O2S/c1-17(2)31-21-11-8-18(9-12-21)15-27-25(30)20-10-13-23-24(14-20)32-26-28-22(16-29(23)26)19-6-4-3-5-7-19/h3-14,16-17H,15H2,1-2H3,(H,27,30)

InChI Key

XEDMMBIVZONWNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.611

Distribution Coefficient, logD

5.582

Water Solubility, LogSw

-5.34

Polar Surface Area

40.161

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with E235-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-1596?
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What is the minimum amount of E235-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-1596
  • 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 E235-1596 available by request