5050-0068 Screening compound: 2-(1H-1,3-benzimidazol-2-ylsulfanyl)-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)acetamide

5050-0068 Screening compound: 2-(1H-1,3-benzimidazol-2-ylsulfanyl)-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
5050-0068 Screening compound: 2-(1H-1,3-benzimidazol-2-ylsulfanyl)-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5050-0068
2-(1H-1,3-benzimidazol-2-ylsulfanyl)-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)acetamide

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

5050-0068

Molecular Formula

C22H17N3O3S (C22 H17 N3 O3 S)

Compound Name

2-(1H-1,3-benzimidazol-2-ylsulfanyl)-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)acetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-N-{4-methoxy-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl}acetamide

SMILES

COc(cc(c(cccc1)c1o1)c1c1)c1NC(CSc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C22H17N3O3S/c1-27-20-10-14-13-6-2-5-9-18(13)28-19(14)11-17(20)23-21(26)12-29-22-24-15-7-3-4-8-16(15)25-22/h2-11H,12H2,1H3,(H,23,26)(H,24,25)

InChI Key

ZWXWCOUXFRMHHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02713376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.541

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.39

Polar Surface Area

55.977

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5050-0068 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5050-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5050-0068?
Check Price and Availability of 5050-0068, 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 5050-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5050-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5050-0068
  • 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 5050-0068 available by request