K242-1130 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide

K242-1130 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
K242-1130 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K242-1130
2-{[4-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)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

K242-1130

Molecular Formula

C26H22ClN3O4S (C26 H22 ClN3 O4 S)

Compound Name

2-{[4-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide

IUPAC name

2-{[4-(2H-13-benzodioxol-5-yl)-1-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide

SMILES

Cc(cc1)ccc1-n1c(SCC(Nc(cc2)cc(Cl)c2OC)=O)nc(-c(cc2)cc3c2OCO3)c1

InChI

InChI=1S/C26H22ClN3O4S/c1-16-3-7-19(8-4-16)30-13-21(17-5-9-23-24(11-17)34-15-33-23)29-26(30)35-14-25(31)28-18-6-10-22(32-2)20(27)12-18/h3-13H,14-15H2,1-2H3,(H,28,31)

InChI Key

SMPQOGWGRACQSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.442

Distribution Coefficient, logD

6.441

Water Solubility, LogSw

-6.29

Polar Surface Area

59.602

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K242-1130 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K242-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K242-1130?
Check Price and Availability of K242-1130, 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 K242-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K242-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K242-1130
  • 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 K242-1130 available by request