3156-0019 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide

3156-0019 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide
3156-0019 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3156-0019
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-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

3156-0019

Molecular Formula

C22H17ClN2O2S (C22 H17 ClN2 O2 S)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide

SMILES

CCOc1cccc(C(Nc(cc(cc2)-c3nc(cccc4)c4s3)c2Cl)=O)c1

InChI

InChI=1S/C22H17ClN2O2S/c1-2-27-16-7-5-6-14(12-16)21(26)24-19-13-15(10-11-17(19)23)22-25-18-8-3-4-9-20(18)28-22/h3-13H,2H2,1H3,(H,24,26)

InChI Key

CFOGXOPMNCEIOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.91

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

6.156

Distribution Coefficient, logD

6.156

Water Solubility, LogSw

-6.15

Polar Surface Area

39.204

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3156-0019 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 3156-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3156-0019?
Check Price and Availability of 3156-0019, 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 3156-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3156-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3156-0019
  • 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 3156-0019 available by request