4483-1893 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoate

4483-1893 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoate
4483-1893 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1893
2-(4-bromophenyl)-2-oxoethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-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

4483-1893

Molecular Formula

C32H31BrN2O7 (C32 H31 BrN2 O7)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 26-bis({35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl})hexanoate

SMILES

O=C(COC(C(CCCCN(C(C1C2C3C=CC1C3)=O)C2=O)N(C(C1C2C3C=CC1C3)=O)C2=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C32H31BrN2O7/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/h4-11,17-20,22,24-27H,1-3,12-15H2

InChI Key

CCZSKNBYGOHVBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01174833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.51

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

2.927

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.31

Polar Surface Area

93.714

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

50.00

4483-1893 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 4483-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4483-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1893
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  • 2–4 weeks for large selections
Delivery formats for 4483-1893
  • 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 4483-1893 available by request