4464-1030 Screening compound: tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-{[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}propanoate

4464-1030 Screening compound: tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-{[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}propanoate
4464-1030 Screening compound: tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-{[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-1030
tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-{[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}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

4464-1030

Molecular Formula

C23H34N2O8 (C23 H34 N2 O8)

Compound Name

tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-{[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}propanoate

IUPAC name

tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-3-{[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}propanoate

SMILES

CC(C)(C)OC(CC(C(NC(Cc(cc1)ccc1O)C(OC)=O)=O)NC(OC(C)(C)C)=O)=O

InChI

InChI=1S/C23H34N2O8/c1-22(2,3)32-18(27)13-16(25-21(30)33-23(4,5)6)19(28)24-17(20(29)31-7)12-14-8-10-15(26)11-9-14/h8-11,16-17,26H,12-13H2,1-7H3,(H,24,28)(H,25,30)

InChI Key

SBIAAFOQMLHIJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.38

Polar Surface Area

114.119

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.50

4464-1030 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4464-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-1030?
Check Price and Availability of 4464-1030, 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 4464-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-1030
  • 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 4464-1030 available by request