7840-2800 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,5-dichlorobenzamide

7840-2800 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,5-dichlorobenzamide
7840-2800 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,5-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-2800
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,5-dichlorobenzamide

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

7840-2800

Molecular Formula

C21H14Cl2N2OS (C21 H14 Cl2 N2 OS)

Compound Name

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

IUPAC name

N-[4-(13-benzothiazol-2-yl)-2-methylphenyl]-25-dichlorobenzamide

SMILES

Cc(cc(cc1)-c2nc(cccc3)c3s2)c1NC(c(cc(cc1)Cl)c1Cl)=O

InChI

InChI=1S/C21H14Cl2N2OS/c1-12-10-13(21-25-18-4-2-3-5-19(18)27-21)6-9-17(12)24-20(26)15-11-14(22)7-8-16(15)23/h2-11H,1H3,(H,24,26)

InChI Key

ICLOAOBAKGNUIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05850279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.33

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

6.455

Distribution Coefficient, logD

6.452

Water Solubility, LogSw

-6.17

Polar Surface Area

32.081

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

7840-2800 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7840-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-2800?
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What is the minimum amount of 7840-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-2800
  • 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 7840-2800 available by request