2054-0724 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate

2054-0724 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate
2054-0724 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 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 2054-0724
2-(4-bromophenyl)-2-oxoethyl 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

2054-0724

Molecular Formula

C32H35BrN2O7 (C32 H35 BrN2 O7)

Compound Name

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

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 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)c(cc1)ccc1Br

InChI

InChI=1S/C32H35BrN2O7/c33-21-10-8-16(9-11-21)23(36)15-42-32(41)22(35-30(39)26-19-6-7-20(14-19)27(26)31(35)40)3-1-2-12-34-28(37)24-17-4-5-18(13-17)25(24)29(34)38/h8-11,17-20,22,24-27H,1-7,12-15H2

InChI Key

GKANYFALVRAENL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

639.54

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

3.002

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.36

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

2054-0724 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2054-0724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0724?
Check Price and Availability of 2054-0724, 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 2054-0724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0724
  • 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 2054-0724 available by request