2154-0747 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromobenzamide

2154-0747 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromobenzamide
2154-0747 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0747
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromobenzamide

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

2154-0747

Molecular Formula

C21H15BrN2OS (C21 H15 BrN2 OS)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromobenzamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-methylphenyl]-3-bromobenzamide

SMILES

Cc(ccc(-c1nc(cccc2)c2s1)c1)c1NC(c1cccc(Br)c1)=O

InChI

InChI=1S/C21H15BrN2OS/c1-13-9-10-15(21-24-17-7-2-3-8-19(17)26-21)12-18(13)23-20(25)14-5-4-6-16(22)11-14/h2-12H,1H3,(H,23,25)

InChI Key

HLOWMQRAAUQBDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01416981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.155

Distribution Coefficient, logD

6.155

Water Solubility, LogSw

-5.57

Polar Surface Area

32.081

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2154-0747 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2154-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0747?
Check Price and Availability of 2154-0747, 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 2154-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0747
  • 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 2154-0747 available by request