0934-0627 Screening compound: (E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine

0934-0627 Screening compound: (E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine
0934-0627 Screening compound: (E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0934-0627
(E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine

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

0934-0627

Molecular Formula

C22H18N2O2S (C22 H18 N2 O2 S)

Compound Name

(E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine

IUPAC name

(E)-N-[4-(13-benzothiazol-2-yl)phenyl]-1-(34-dimethoxyphenyl)methanimine

SMILES

COc(ccc(/C=N/c(cc1)ccc1-c1nc(cccc2)c2s1)c1)c1OC

InChI

InChI=1S/C22H18N2O2S/c1-25-19-12-7-15(13-20(19)26-2)14-23-17-10-8-16(9-11-17)22-24-18-5-3-4-6-21(18)27-22/h3-14H,1-2H3

InChI Key

ZOJVMIDFYLLISF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.970

Distribution Coefficient, logD

4.963

Water Solubility, LogSw

-4.87

Polar Surface Area

33.076

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0934-0627 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0934-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0934-0627?
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What is the minimum amount of 0934-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0934-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0934-0627
  • 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 0934-0627 available by request