3156-0137 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3,4,5-triethoxybenzamide

3156-0137 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3,4,5-triethoxybenzamide
3156-0137 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3156-0137
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3,4,5-triethoxybenzamide

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

3156-0137

Molecular Formula

C27H28N2O4S (C27 H28 N2 O4 S)

Compound Name

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

IUPAC name

N-[3-(13-benzothiazol-2-yl)-2-methylphenyl]-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc2cccc(-c3nc(cccc4)c4s3)c2C)=O)cc(OCC)c1OCC

InChI

InChI=1S/C27H28N2O4S/c1-5-31-22-15-18(16-23(32-6-2)25(22)33-7-3)26(30)28-20-13-10-11-19(17(20)4)27-29-21-12-8-9-14-24(21)34-27/h8-16H,5-7H2,1-4H3,(H,28,30)

InChI Key

KLVQRTOYMUSVGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.098

Distribution Coefficient, logD

6.098

Water Solubility, LogSw

-5.54

Polar Surface Area

53.798

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 3156-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3156-0137?
Check Price and Availability of 3156-0137, 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 3156-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3156-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3156-0137
  • 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 3156-0137 available by request