K784-4222 Screening compound: ethyl 4-({N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

K784-4222 Screening compound: ethyl 4-({N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
K784-4222 Screening compound: ethyl 4-({N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4222
ethyl 4-({N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

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

K784-4222

Molecular Formula

C24H30N2O6S (C24 H30 N2 O6 S)

Compound Name

ethyl 4-({N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

IUPAC name

ethyl 4-({N-[(2-methylphenyl)methyl]4-nitrobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CN(Cc2c(C)cccc2)S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)CC1)=O

InChI

InChI=1S/C24H30N2O6S/c1-3-32-24(27)20-10-8-19(9-11-20)16-25(17-21-7-5-4-6-18(21)2)33(30,31)23-14-12-22(13-15-23)26(28)29/h4-7,12-15,19-20H,3,8-11,16-17H2,1-2H3

InChI Key

MKYBYKIMWQHOHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.991

Distribution Coefficient, logD

5.991

Water Solubility, LogSw

-5.52

Polar Surface Area

85.670

Acid Dissociation Constant (pKa)

23.26

Base Dissociation Constant (pKb)

-5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

K784-4222 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K784-4222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4222?
Check Price and Availability of K784-4222, 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 K784-4222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4222
  • 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 K784-4222 available by request