8003-7721 Screening compound: 1-{2-[1-(3-nitrobenzoyloxy)cyclohexyl]ethynyl}cyclohexyl 3-nitrobenzoate

8003-7721 Screening compound: 1-{2-[1-(3-nitrobenzoyloxy)cyclohexyl]ethynyl}cyclohexyl 3-nitrobenzoate
8003-7721 Screening compound: 1-{2-[1-(3-nitrobenzoyloxy)cyclohexyl]ethynyl}cyclohexyl 3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7721
1-{2-[1-(3-nitrobenzoyloxy)cyclohexyl]ethynyl}cyclohexyl 3-nitrobenzoate

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

8003-7721

Molecular Formula

C28H28N2O8 (C28 H28 N2 O8)

Compound Name

1-{2-[1-(3-nitrobenzoyloxy)cyclohexyl]ethynyl}cyclohexyl 3-nitrobenzoate

IUPAC name

1-{2-[1-(3-nitrobenzoyloxy)cyclohexyl]ethynyl}cyclohexyl 3-nitrobenzoate

SMILES

[O-][N+](c1cccc(C(OC2(CCCCC2)C#CC2(CCCCC2)OC(c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O

InChI

InChI=1S/C28H28N2O8/c31-25(21-9-7-11-23(19-21)29(33)34)37-27(13-3-1-4-14-27)17-18-28(15-5-2-6-16-28)38-26(32)22-10-8-12-24(20-22)30(35)36/h7-12,19-20H,1-6,13-16H2

InChI Key

DKSGHBNGBMEANA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00736285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.54

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.168

Distribution Coefficient, logD

6.168

Water Solubility, LogSw

-5.92

Polar Surface Area

105.525

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

8003-7721 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 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 8003-7721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7721?
Check Price and Availability of 8003-7721, 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 8003-7721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7721
  • 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 8003-7721 available by request