K784-4353 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]3-[(3,4-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

Chemical Structure Depiction of ChemDiv screening compound K784-4353
ethyl 4-({N-[(4-methoxyphenyl)methyl]3-[(3,4-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K784-4353

Molecular Formula

C₃₃H₃₉FN₂O₆S (C33 H39 FN2 O6 S)

Compound Name

ethyl 4-({N-[(4-methoxyphenyl)methyl]3-[(3,4-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

IUPAC name

ethyl 4-({N-[(4-methoxyphenyl)methyl]3-[(34-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CN(Cc(cc2)ccc2OC)S(c(cc2)cc(C(Nc3cc(C)c(C)cc3)=O)c2F)(=O)=O)CC1)=O

InChI

InChI=1S/C33H39FN2O6S/c1-5-42-33(38)26-11-7-24(8-12-26)20-36(21-25-9-14-28(41-4)15-10-25)43(39,40)29-16-17-31(34)30(19-29)32(37)35-27-13-6-22(2)23(3)18-27/h6,9-10,13-19,24,26H,5,7-8,11-12,20-21H2,1-4H3,(H,35,37)

InChI Key

OCKKVLGAULZZJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.75

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

7.447

Distribution Coefficient, logD

7.445

Water Solubility, LogSw

-5.68

Polar Surface Area

82.923

Acid Dissociation Constant (pK_a)

9.67

Base Dissociation Constant (pK_b)

-2.17

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

39.40

K784-4353 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Human GPCR Annotated Library (5539 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Cardiovascular
Metabolic
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds

Structure:

3D
Cyclic compounds

Mechanism of action:

PPI modulators
PPI modulators

References: we are preparing a list of scientific research reports with K784-4353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4353?
Check Price and Availability of K784-4353, 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 K784-4353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K784-4353
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K784-4353

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 K784-4353 available by request