5408-3629 Screening compound: benzyl N-(3-amino-1-{[(3-methoxypropyl)amino]carbonyl}-3-oxopropyl)carbamate

5408-3629 Screening compound: benzyl N-(3-amino-1-{[(3-methoxypropyl)amino]carbonyl}-3-oxopropyl)carbamate
5408-3629 Screening compound: benzyl N-(3-amino-1-{[(3-methoxypropyl)amino]carbonyl}-3-oxopropyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-3629
benzyl N-(3-amino-1-{[(3-methoxypropyl)amino]carbonyl}-3-oxopropyl)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

5408-3629

Molecular Formula

C16H23N3O5 (C16 H23 N3 O5)

Compound Name

benzyl N-(3-amino-1-{[(3-methoxypropyl)amino]carbonyl}-3-oxopropyl)carbamate

IUPAC name

benzyl N-{2-carbamoyl-1-[(3-methoxypropyl)carbamoyl]ethyl}carbamate

SMILES

COCCCNC(C(CC(N)=O)NC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C16H23N3O5/c1-23-9-5-8-18-15(21)13(10-14(17)20)19-16(22)24-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H2,17,20)(H,18,21)(H,19,22)

InChI Key

MAFOOUPIYIYJEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.680

Distribution Coefficient, logD

0.680

Water Solubility, LogSw

-1.31

Polar Surface Area

99.267

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

5408-3629 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5408-3629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-3629?
Check Price and Availability of 5408-3629, 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 5408-3629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-3629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-3629
  • 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 5408-3629 available by request