K242-1151 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetamide

K242-1151 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetamide
K242-1151 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K242-1151
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}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

K242-1151

Molecular Formula

C26H22FN3O5S (C26 H22 FN3 O5 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[4-(34-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetamide

SMILES

COc(ccc(-c(nc1SCC(Nc(cc2)cc3c2OCO3)=O)cn1-c(cc1)ccc1F)c1)c1OC

InChI

InChI=1S/C26H22FN3O5S/c1-32-21-9-3-16(11-23(21)33-2)20-13-30(19-7-4-17(27)5-8-19)26(29-20)36-14-25(31)28-18-6-10-22-24(12-18)35-15-34-22/h3-13H,14-15H2,1-2H3,(H,28,31)

InChI Key

SSPLKDIZFBFDJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.072

Distribution Coefficient, logD

5.072

Water Solubility, LogSw

-4.68

Polar Surface Area

67.233

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K242-1151 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K242-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K242-1151?
Check Price and Availability of K242-1151, 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 K242-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K242-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K242-1151
  • 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 K242-1151 available by request