8008-8091 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate

8008-8091 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)hexanoate
8008-8091 Screening compound: 2-(3-nitrophenyl)-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 8008-8091
2-(3-nitrophenyl)-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

8008-8091

Molecular Formula

C32H35N3O9 (C32 H35 N3 O9)

Compound Name

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

IUPAC name

2-(3-nitrophenyl)-2-oxoethyl 26-bis({35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl})hexanoate

SMILES

[O-][N+](c1cc(C(COC(C(CCCCN(C(C2C3C4CC2CC4)=O)C3=O)N(C(C2C3C4CC2CC4)=O)C3=O)=O)=O)ccc1)=O

InChI

InChI=1S/C32H35N3O9/c36-23(16-4-3-5-21(14-16)35(42)43)15-44-32(41)22(34-30(39)26-19-9-10-20(13-19)27(26)31(34)40)6-1-2-11-33-28(37)24-17-7-8-18(12-17)25(24)29(33)38/h3-5,14,17-20,22,24-27H,1-2,6-13,15H2

InChI Key

KCNYGPBHCOZNPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.64

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.349

Distribution Coefficient, logD

2.349

Water Solubility, LogSw

-2.58

Polar Surface Area

127.095

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

62.50

8008-8091 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 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 8008-8091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8091?
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What is the minimum amount of 8008-8091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8091
  • 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 8008-8091 available by request