1411-0084 Screening compound: benzyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanoate

1411-0084 Screening compound: benzyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanoate
1411-0084 Screening compound: benzyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1411-0084
benzyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanoate

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

1411-0084

Molecular Formula

C27H36N2O5 (C27 H36 N2 O5)

Compound Name

benzyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanoate

IUPAC name

benzyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido)-3-phenylpropanoate

SMILES

CC(C)CC(C(NC(Cc1ccccc1)C(OCc1ccccc1)=O)=O)NC(OC(C)(C)C)=O

InChI

InChI=1S/C27H36N2O5/c1-19(2)16-22(29-26(32)34-27(3,4)5)24(30)28-23(17-20-12-8-6-9-13-20)25(31)33-18-21-14-10-7-11-15-21/h6-15,19,22-23H,16-18H2,1-5H3,(H,28,30)(H,29,32)

InChI Key

IKZFNIAMQFYRSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00327717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.956

Distribution Coefficient, logD

5.956

Water Solubility, LogSw

-5.62

Polar Surface Area

76.917

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

1411-0084 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1411-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1411-0084?
Check Price and Availability of 1411-0084, 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 1411-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1411-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1411-0084
  • 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 1411-0084 available by request