2810-2091 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3,4,5-triethoxybenzamide

2810-2091 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3,4,5-triethoxybenzamide
2810-2091 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2810-2091
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-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

2810-2091

Molecular Formula

C26H26N2O5S (C26 H26 N2 O5 S)

Compound Name

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

IUPAC name

N-[3-(13-benzothiazol-2-yl)-4-hydroxyphenyl]-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc(cc2)cc(-c3nc(cccc4)c4s3)c2O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C26H26N2O5S/c1-4-31-21-13-16(14-22(32-5-2)24(21)33-6-3)25(30)27-17-11-12-20(29)18(15-17)26-28-19-9-7-8-10-23(19)34-26/h7-15,29H,4-6H2,1-3H3,(H,27,30)

InChI Key

NQVVDVZJBGTHAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.221

Distribution Coefficient, logD

6.221

Water Solubility, LogSw

-5.21

Polar Surface Area

71.044

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

2810-2091 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 2810-2091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2810-2091?
Check Price and Availability of 2810-2091, 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 2810-2091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2810-2091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2810-2091
  • 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 2810-2091 available by request