D347-0876 Screening compound: 2-(2-{[2-(2,5-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

D347-0876 Screening compound: 2-(2-{[2-(2,5-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid
D347-0876 Screening compound: 2-(2-{[2-(2,5-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0876
2-(2-{[2-(2,5-dimethylphenoxy)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

D347-0876

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

2-(2-{[2-(2,5-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

IUPAC name

2-(2-{[2-(25-dimethylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)acetic acid

SMILES

Cc1cc(OCCSc2nc(cccc3)c3n2CC(O)=O)c(C)cc1

InChI

InChI=1S/C19H20N2O3S/c1-13-7-8-14(2)17(11-13)24-9-10-25-19-20-15-5-3-4-6-16(15)21(19)12-18(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)

InChI Key

KORMGXMEBIRTOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

-0.386

Water Solubility, LogSw

-3.65

Polar Surface Area

46.637

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D347-0876 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D347-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0876?
Check Price and Availability of D347-0876, 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 D347-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0876
  • 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 D347-0876 available by request