8001-4089 Screening compound: N,N-bis(decyl)-3,5-dinitrobenzamide

8001-4089 Screening compound: N,N-bis(decyl)-3,5-dinitrobenzamide
8001-4089 Screening compound: N,N-bis(decyl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-4089
N,N-bis(decyl)-3,5-dinitrobenzamide

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

8001-4089

Molecular Formula

C27H45N3O5 (C27 H45 N3 O5)

Compound Name

N,N-bis(decyl)-3,5-dinitrobenzamide

IUPAC name

NN-bis(decyl)-35-dinitrobenzamide

SMILES

CCCCCCCCCCN(CCCCCCCCCC)C(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C27H45N3O5/c1-3-5-7-9-11-13-15-17-19-28(20-18-16-14-12-10-8-6-4-2)27(31)24-21-25(29(32)33)23-26(22-24)30(34)35/h21-23H,3-20H2,1-2H3

InChI Key

HLXRYHHBURATMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00322452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

10.097

Distribution Coefficient, logD

10.097

Water Solubility, LogSw

-5.77

Polar Surface Area

83.441

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

74.10

8001-4089 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 8001-4089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-4089?
Check Price and Availability of 8001-4089, 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 8001-4089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-4089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-4089
  • 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 8001-4089 available by request