4464-1018 Screening compound: methyl 2-[2-(2-{[(benzyloxy)carbonyl]amino}acetamido)propanamido]-3-hydroxypropanoate

4464-1018 Screening compound: methyl 2-[2-(2-{[(benzyloxy)carbonyl]amino}acetamido)propanamido]-3-hydroxypropanoate
4464-1018 Screening compound: methyl 2-[2-(2-{[(benzyloxy)carbonyl]amino}acetamido)propanamido]-3-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-1018
methyl 2-[2-(2-{[(benzyloxy)carbonyl]amino}acetamido)propanamido]-3-hydroxypropanoate

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

4464-1018

Molecular Formula

C17H23N3O7 (C17 H23 N3 O7)

Compound Name

methyl 2-[2-(2-{[(benzyloxy)carbonyl]amino}acetamido)propanamido]-3-hydroxypropanoate

IUPAC name

methyl 2-[2-(2-{[(benzyloxy)carbonyl]amino}acetamido)propanamido]-3-hydroxypropanoate

SMILES

CC(C(NC(CO)C(OC)=O)=O)NC(CNC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C17H23N3O7/c1-11(15(23)20-13(9-21)16(24)26-2)19-14(22)8-18-17(25)27-10-12-6-4-3-5-7-12/h3-7,11,13,21H,8-10H2,1-2H3,(H,18,25)(H,19,22)(H,20,23)

InChI Key

SVOQDUZVIQDFSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02734109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.148

Distribution Coefficient, logD

0.148

Water Solubility, LogSw

-1.50

Polar Surface Area

119.619

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

4464-1018 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4464-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-1018?
Check Price and Availability of 4464-1018, 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 4464-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-1018
  • 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 4464-1018 available by request