K058-0345 Screening compound: (Z)-4-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

K058-0345 Screening compound: (Z)-4-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide
K058-0345 Screening compound: (Z)-4-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K058-0345
(Z)-4-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

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

K058-0345

Molecular Formula

C18H16ClN3O3S (C18 H16 ClN3 O3 S)

Compound Name

(Z)-4-chloro-N-(5-methyl-1,2-oxazol-3-yl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

IUPAC name

(Z)-4-chloro-N-(5-methyl-12-oxazol-3-yl)-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide

SMILES

Cc1cc(N/C(/c(cc2)ccc2Cl)=N\S(c2ccc(C)cc2)(=O)=O)no1

InChI

InChI=1S/C18H16ClN3O3S/c1-12-3-9-16(10-4-12)26(23,24)22-18(14-5-7-15(19)8-6-14)20-17-11-13(2)25-21-17/h3-11H,1-2H3,(H,20,21,22)

InChI Key

JAXMCXRODWCUIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.910

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-5.09

Polar Surface Area

70.484

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

K058-0345 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K058-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K058-0345?
Check Price and Availability of K058-0345, 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 K058-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K058-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K058-0345
  • 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 K058-0345 available by request