2882-0003 Screening compound: 2-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

2882-0003 Screening compound: 2-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid
2882-0003 Screening compound: 2-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2882-0003
2-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

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

2882-0003

Molecular Formula

C21H24N2O3S (C21 H24 N2 O3 S)

Compound Name

2-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

IUPAC name

2-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)acetic acid

SMILES

CC(C)(C)c(cc1)ccc1OCCSc1nc(cccc2)c2n1CC(O)=O

InChI

InChI=1S/C21H24N2O3S/c1-21(2,3)15-8-10-16(11-9-15)26-12-13-27-20-22-17-6-4-5-7-18(17)23(20)14-19(24)25/h4-11H,12-14H2,1-3H3,(H,24,25)

InChI Key

IXNQFBWSIZNTPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01788339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

0.550

Water Solubility, LogSw

-4.20

Polar Surface Area

46.551

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2882-0003 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2882-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2882-0003?
Check Price and Availability of 2882-0003, 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 2882-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2882-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2882-0003
  • 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 2882-0003 available by request