4369-0026 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

Chemical Structure Depiction of ChemDiv screening compound 4369-0026
2-(4-methoxyphenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4369-0026

Molecular Formula

C₃₁H₃₂N₂O₅ (C31 H32 N2 O5)

Compound Name

2-(4-methoxyphenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

2-(4-methoxyphenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

SMILES

CC(C)(C)c(cc1)ccc1C(NC(Cc1c[nH]c2c1cccc2)C(OCC(c(cc1)ccc1OC)=O)=O)=O

InChI

InChI=1S/C31H32N2O5/c1-31(2,3)23-13-9-21(10-14-23)29(35)33-27(17-22-18-32-26-8-6-5-7-25(22)26)30(36)38-19-28(34)20-11-15-24(37-4)16-12-20/h5-16,18,27,32H,17,19H2,1-4H3,(H,33,35)/t27-/m0/s1

InChI Key

LIASMTYFSIFYFK-MHZLTWQESA-N

MDL Number (MFCD)

MFCD06663588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.690

Distribution Coefficient, logD

5.690

Water Solubility, LogSw

-5.81

Polar Surface Area

75.801

Acid Dissociation Constant (pK_a)

11.56

Base Dissociation Constant (pK_b)

-3.35

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

25.80

4369-0026 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

Human Receptors Annotated Library (5376 compounds)

PLpro Library (6343 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
Antiviral
Infections
Immune system
Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Structure:

3D
Mimetics

Mechanism of action:

PPI modulators

Targets:

Proteases
Phosphatases

References: we are preparing a list of scientific research reports with 4369-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4369-0026?
Check Price and Availability of 4369-0026, 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 4369-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for 4369-0026
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for 4369-0026

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 4369-0026 available by request