8495-0307 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-methoxybenzamide

8495-0307 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-methoxybenzamide
8495-0307 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8495-0307
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-methoxybenzamide

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

8495-0307

Molecular Formula

C21H15ClN2O2S (C21 H15 ClN2 O2 S)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-methoxybenzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)-3-chlorophenyl]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc(cc1)cc(Cl)c1-c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C21H15ClN2O2S/c1-26-18-8-4-2-6-15(18)20(25)23-13-10-11-14(16(22)12-13)21-24-17-7-3-5-9-19(17)27-21/h2-12H,1H3,(H,23,25)

InChI Key

AHZAPQNCUBCHTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04220141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.615

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-6.04

Polar Surface Area

40.409

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8495-0307 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8495-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8495-0307?
Check Price and Availability of 8495-0307, 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 8495-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8495-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8495-0307
  • 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 8495-0307 available by request