4464-1010 Screening compound: ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)propanoate

4464-1010 Screening compound: ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)propanoate
4464-1010 Screening compound: ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-1010
ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)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

4464-1010

Molecular Formula

C19H28N2O5 (C19 H28 N2 O5)

Compound Name

ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)propanoate

IUPAC name

ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)propanoate

SMILES

CCOC(C(C)NC(C(CC(C)C)NC(OCc1ccccc1)=O)=O)=O

InChI

InChI=1S/C19H28N2O5/c1-5-25-18(23)14(4)20-17(22)16(11-13(2)3)21-19(24)26-12-15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12H2,1-4H3,(H,20,22)(H,21,24)

InChI Key

ORWYPJBPIOYHHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-4.01

Polar Surface Area

77.612

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.60

4464-1010 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4464-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-1010?
Check Price and Availability of 4464-1010, 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 4464-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-1010
  • 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 4464-1010 available by request