C429-0237 Screening compound: ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxo-5-phenylpentanoate

C429-0237 Screening compound: ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxo-5-phenylpentanoate
C429-0237 Screening compound: ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxo-5-phenylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0237
ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxo-5-phenylpentanoate

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

C429-0237

Molecular Formula

C18H25NO5 (C18 H25 NO5)

Compound Name

ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxo-5-phenylpentanoate

IUPAC name

ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxo-5-phenylpentanoate

SMILES

CCOC(CC(C(Cc1ccccc1)NC(OC(C)(C)C)=O)=O)=O

InChI

InChI=1S/C18H25NO5/c1-5-23-16(21)12-15(20)14(11-13-9-7-6-8-10-13)19-17(22)24-18(2,3)4/h6-10,14H,5,11-12H2,1-4H3,(H,19,22)/t14-/m0/s1

InChI Key

TXPAPGXWGNAYCX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14756038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.413

Water Solubility, LogSw

-3.55

Polar Surface Area

65.150

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C429-0237 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C429-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0237?
Check Price and Availability of C429-0237, 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 C429-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0237
  • 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 C429-0237 available by request