2154-0768 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-4-ethoxybenzamide

2154-0768 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-4-ethoxybenzamide
2154-0768 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0768
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-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

2154-0768

Molecular Formula

C23H19BrN2O2S (C23 H19 BrN2 O2 S)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-4-ethoxybenzamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-4-ethoxybenzamide

SMILES

CCOc(ccc(C(Nc1c(C)ccc(-c2nc(cccc3)c3s2)c1)=O)c1)c1Br

InChI

InChI=1S/C23H19BrN2O2S/c1-3-28-20-11-10-15(12-17(20)24)22(27)25-19-13-16(9-8-14(19)2)23-26-18-6-4-5-7-21(18)29-23/h4-13H,3H2,1-2H3,(H,25,27)

InChI Key

MBVKTMPOJFFAGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01416953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.39

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

6.311

Distribution Coefficient, logD

6.311

Water Solubility, LogSw

-5.49

Polar Surface Area

39.291

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

2154-0768 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2154-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0768?
Check Price and Availability of 2154-0768, 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 2154-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0768
  • 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 2154-0768 available by request