2081-1245 Screening compound: 3,4,5-trimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

2081-1245 Screening compound: 3,4,5-trimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
2081-1245 Screening compound: 3,4,5-trimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1245
3,4,5-trimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

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

2081-1245

Molecular Formula

C24H22N2O4S (C24 H22 N2 O4 S)

Compound Name

3,4,5-trimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

IUPAC name

345-trimethoxy-N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]benzamide

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NC(c(cc1OC)cc(OC)c1OC)=O)s2

InChI

InChI=1S/C24H22N2O4S/c1-14-5-10-18-21(11-14)31-24(26-18)15-6-8-17(9-7-15)25-23(27)16-12-19(28-2)22(30-4)20(13-16)29-3/h5-13H,1-4H3,(H,25,27)

InChI Key

VHEYVUNZOLDSAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00862282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.215

Distribution Coefficient, logD

5.215

Water Solubility, LogSw

-5.02

Polar Surface Area

55.756

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2081-1245 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2081-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1245?
Check Price and Availability of 2081-1245, 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 2081-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1245
  • 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 2081-1245 available by request