4499-0022 Screening compound: 2-(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)-N-(5-METHYL-3-ISOXAZOLYL)BUTANAMIDE

4499-0022 Screening compound: 2-(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)-N-(5-METHYL-3-ISOXAZOLYL)BUTANAMIDE
4499-0022 Screening compound: 2-(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)-N-(5-METHYL-3-ISOXAZOLYL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4499-0022
2-(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)-N-(5-METHYL-3-ISOXAZOLYL)BUTANAMIDE

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

4499-0022

Molecular Formula

C15H16N4O2S (C15 H16 N4 O2 S)

Compound Name

2-(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)-N-(5-METHYL-3-ISOXAZOLYL)BUTANAMIDE

IUPAC name

n/a

SMILES

CCC(C(Nc1noc(C)c1)=O)Sc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C15H16N4O2S/c1-3-12(14(20)18-13-8-9(2)21-19-13)22-15-16-10-6-4-5-7-11(10)17-15/h4-8,12H,3H2,1-2H3,(H,16,17)(H,18,19,20)/t12-/m0/s1

InChI Key

WUWJUWMNXFOYPU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02175254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

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

3.382

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.69

Polar Surface Area

63.138

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.00

4499-0022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4499-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4499-0022?
Check Price and Availability of 4499-0022, 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 4499-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4499-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4499-0022
  • 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 4499-0022 available by request