E235-0033 Screening compound: (4-benzylpiperidino)[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl]methanone

E235-0033 Screening compound: (4-benzylpiperidino)[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl]methanone
E235-0033 Screening compound: (4-benzylpiperidino)[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-0033
(4-benzylpiperidino)[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl]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

E235-0033

Molecular Formula

C29H27N3OS (C29 H27 N3 OS)

Compound Name

(4-benzylpiperidino)[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl]methanone

IUPAC name

10-(4-benzylpiperidine-1-carbonyl)-4-(4-methylphenyl)-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene

SMILES

Cc(cc1)ccc1-c1cn(c(ccc(C(N2CCC(Cc3ccccc3)CC2)=O)c2)c2s2)c2n1

InChI

InChI=1S/C29H27N3OS/c1-20-7-9-23(10-8-20)25-19-32-26-12-11-24(18-27(26)34-29(32)30-25)28(33)31-15-13-22(14-16-31)17-21-5-3-2-4-6-21/h2-12,18-19,22H,13-17H2,1H3

InChI Key

ULFCBSNSVSYOPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.774

Distribution Coefficient, logD

6.632

Water Solubility, LogSw

-5.59

Polar Surface Area

25.322

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with E235-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-0033?
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What is the minimum amount of E235-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-0033
  • 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 E235-0033 available by request