8512-0096 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]-3,4,5-trimethoxybenzamide

8512-0096 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]-3,4,5-trimethoxybenzamide
8512-0096 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8512-0096
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]-3,4,5-trimethoxybenzamide

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

8512-0096

Molecular Formula

C24H22N2O5S (C24 H22 N2 O5 S)

Compound Name

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

IUPAC name

N-[3-(13-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]-345-trimethoxybenzamide

SMILES

Cc1cc(NC(c(cc2OC)cc(OC)c2OC)=O)cc(-c2nc(cccc3)c3s2)c1O

InChI

InChI=1S/C24H22N2O5S/c1-13-9-15(12-16(21(13)27)24-26-17-7-5-6-8-20(17)32-24)25-23(28)14-10-18(29-2)22(31-4)19(11-14)30-3/h5-12,27H,1-4H3,(H,25,28)

InChI Key

HUXWBXIEVFBQLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07403109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.270

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-5.08

Polar Surface Area

71.236

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8512-0096 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8512-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8512-0096?
Check Price and Availability of 8512-0096, 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 8512-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8512-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8512-0096
  • 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 8512-0096 available by request