0957-0376 Screening compound: 2-[(E)-{[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]imino}methyl]-4,6-dichlorophenol

0957-0376 Screening compound: 2-[(E)-{[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]imino}methyl]-4,6-dichlorophenol
0957-0376 Screening compound: 2-[(E)-{[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]imino}methyl]-4,6-dichlorophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0957-0376
2-[(E)-{[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]imino}methyl]-4,6-dichlorophenol

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

0957-0376

Molecular Formula

C20H11BrCl2N2OS (C20 H11 BrCl2 N2 OS)

Compound Name

2-[(E)-{[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]imino}methyl]-4,6-dichlorophenol

IUPAC name

2-[(E)-{[2-(3-bromophenyl)-13-benzothiazol-5-yl]imino}methyl]-46-dichlorophenol

SMILES

Oc(c(Cl)c1)c(/C=N/c(cc2)cc3c2sc(-c2cccc(Br)c2)n3)cc1Cl

InChI

InChI=1S/C20H11BrCl2N2OS/c21-13-3-1-2-11(6-13)20-25-17-9-15(4-5-18(17)27-20)24-10-12-7-14(22)8-16(23)19(12)26/h1-10,26H

InChI Key

MDYKQMMJSZGUHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00646900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.571

Distribution Coefficient, logD

6.992

Water Solubility, LogSw

-6.36

Polar Surface Area

33.294

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0957-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0957-0376?
Check Price and Availability of 0957-0376, 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 0957-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0957-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0957-0376
  • 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 0957-0376 available by request