0808-0192 Screening compound: 3-bromophenyl 4-[(E)-{[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]benzoate

0808-0192 Screening compound: 3-bromophenyl 4-[(E)-{[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]benzoate
0808-0192 Screening compound: 3-bromophenyl 4-[(E)-{[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0808-0192
3-bromophenyl 4-[(E)-{[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]benzoate

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

0808-0192

Molecular Formula

C27H17BrN2O2S (C27 H17 BrN2 O2 S)

Compound Name

3-bromophenyl 4-[(E)-{[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]benzoate

IUPAC name

3-bromophenyl 4-[(E)-{[4-(13-benzothiazol-2-yl)phenyl]imino}methyl]benzoate

SMILES

O=C(c1ccc(/C=N/c(cc2)ccc2-c2nc(cccc3)c3s2)cc1)Oc1cccc(Br)c1

InChI

InChI=1S/C27H17BrN2O2S/c28-21-4-3-5-23(16-21)32-27(31)20-10-8-18(9-11-20)17-29-22-14-12-19(13-15-22)26-30-24-6-1-2-7-25(24)33-26/h1-17H

InChI Key

USCJNGDPXWUJOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00290272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.984

Distribution Coefficient, logD

6.983

Water Solubility, LogSw

-6.34

Polar Surface Area

38.193

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0808-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0808-0192?
Check Price and Availability of 0808-0192, 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 0808-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0808-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0808-0192
  • 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 0808-0192 available by request