2026-4106 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxybenzamide

2026-4106 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxybenzamide
2026-4106 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2026-4106
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxybenzamide

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

2026-4106

Molecular Formula

C22H17BrN2O2S (C22 H17 BrN2 O2 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxybenzamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxybenzamide

SMILES

CCOc(ccc(C(Nc1cc(-c2nc(cccc3)c3s2)ccc1)=O)c1)c1Br

InChI

InChI=1S/C22H17BrN2O2S/c1-2-27-19-11-10-14(13-17(19)23)21(26)24-16-7-5-6-15(12-16)22-25-18-8-3-4-9-20(18)28-22/h3-13H,2H2,1H3,(H,24,26)

InChI Key

VBBHYWPCNMGPAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01144846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.331

Distribution Coefficient, logD

6.331

Water Solubility, LogSw

-5.57

Polar Surface Area

39.989

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2026-4106 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2026-4106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2026-4106?
Check Price and Availability of 2026-4106, 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 2026-4106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2026-4106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2026-4106
  • 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 2026-4106 available by request