4483-1554 Screening compound: 2-oxo-2-phenylethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate

4483-1554 Screening compound: 2-oxo-2-phenylethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate
4483-1554 Screening compound: 2-oxo-2-phenylethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1554
2-oxo-2-phenylethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate

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

4483-1554

Molecular Formula

C32H36N2O7 (C32 H36 N2 O7)

Compound Name

2-oxo-2-phenylethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate

IUPAC name

2-oxo-2-phenylethyl 26-bis({35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl})hexanoate

SMILES

O=C(COC(C(CCCCN(C(C1C2C3CC1CC3)=O)C2=O)N(C(C1C2C3CC1CC3)=O)C2=O)=O)c1ccccc1

InChI

InChI=1S/C32H36N2O7/c35-23(17-6-2-1-3-7-17)16-41-32(40)22(34-30(38)26-20-11-12-21(15-20)27(26)31(34)39)8-4-5-13-33-28(36)24-18-9-10-19(14-18)25(24)29(33)37/h1-3,6-7,18-22,24-27H,4-5,8-16H2

InChI Key

YYEFGQNTJCSVBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.65

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.25

Polar Surface Area

93.714

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

62.50

4483-1554 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4483-1554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1554?
Check Price and Availability of 4483-1554, 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 4483-1554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1554
  • 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 4483-1554 available by request