4464-0968 Screening compound: methyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate

4464-0968 Screening compound: methyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate
4464-0968 Screening compound: methyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-0968
methyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate

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

4464-0968

Molecular Formula

C21H32N2O5 (C21 H32 N2 O5)

Compound Name

methyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate

IUPAC name

methyl 2-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido)-3-methylpentanoate

SMILES

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

InChI

InChI=1S/C21H32N2O5/c1-6-15(4)18(20(25)27-5)23-19(24)17(12-14(2)3)22-21(26)28-13-16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3,(H,22,26)(H,23,24)

InChI Key

PPNJGOIVBBTPDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.59

Polar Surface Area

78.221

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.10

4464-0968 in Drug Discovery

Included in Screening Libraries

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
  • 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 4464-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-0968?
Check Price and Availability of 4464-0968, 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 4464-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-0968
  • 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 4464-0968 available by request