4464-1020 Screening compound: benzyl N-[({1-[(1-carbamoyl-2-methylbutyl)carbamoyl]ethyl}carbamoyl)methyl]carbamate

4464-1020 Screening compound: benzyl N-[({1-[(1-carbamoyl-2-methylbutyl)carbamoyl]ethyl}carbamoyl)methyl]carbamate
4464-1020 Screening compound: benzyl N-[({1-[(1-carbamoyl-2-methylbutyl)carbamoyl]ethyl}carbamoyl)methyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-1020
benzyl N-[({1-[(1-carbamoyl-2-methylbutyl)carbamoyl]ethyl}carbamoyl)methyl]carbamate

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

4464-1020

Molecular Formula

C19H28N4O5 (C19 H28 N4 O5)

Compound Name

benzyl N-[({1-[(1-carbamoyl-2-methylbutyl)carbamoyl]ethyl}carbamoyl)methyl]carbamate

IUPAC name

benzyl N-[({1-[(1-carbamoyl-2-methylbutyl)carbamoyl]ethyl}carbamoyl)methyl]carbamate

SMILES

CCC(C)C(C(N)=O)NC(C(C)NC(CNC(OCc1ccccc1)=O)=O)=O

InChI

InChI=1S/C19H28N4O5/c1-4-12(2)16(17(20)25)23-18(26)13(3)22-15(24)10-21-19(27)28-11-14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3,(H2,20,25)(H,21,27)(H,22,24)(H,23,26)

InChI Key

ZJNITTSQIVIBPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02231916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.286

Distribution Coefficient, logD

1.286

Water Solubility, LogSw

-1.67

Polar Surface Area

115.110

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.40

4464-1020 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

STING Agonist Library (5895 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 4464-1020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-1020?
Check Price and Availability of 4464-1020, 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 4464-1020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-1020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-1020
  • 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 4464-1020 available by request