4369-0005 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 2-[(4-ethylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

4369-0005 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 2-[(4-ethylphenyl)formamido]-3-(1H-indol-3-yl)propanoate
4369-0005 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 2-[(4-ethylphenyl)formamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4369-0005
2-(4-methoxyphenyl)-2-oxoethyl 2-[(4-ethylphenyl)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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4369-0005

Molecular Formula

C29H28N2O5 (C29 H28 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C29H28N2O5/c1-3-19-8-10-21(11-9-19)28(33)31-26(16-22-17-30-25-7-5-4-6-24(22)25)29(34)36-18-27(32)20-12-14-23(35-2)15-13-20/h4-15,17,26,30H,3,16,18H2,1-2H3,(H,31,33)/t26-/m0/s1

InChI Key

GLYNTFKZBUFOEO-SANMLTNESA-N

MDL Number (MFCD)

MFCD14710007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.826

Water Solubility, LogSw

-4.84

Polar Surface Area

75.801

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

4369-0005 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4369-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4369-0005?
Check Price and Availability of 4369-0005, 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 4369-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4369-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4369-0005
  • 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 4369-0005 available by request