Y031-9363 Screening compound: 3-nitro-N-octadecylbenzamide

Y031-9363 Screening compound: 3-nitro-N-octadecylbenzamide
Y031-9363 Screening compound: 3-nitro-N-octadecylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9363
3-nitro-N-octadecylbenzamide

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

Y031-9363

Molecular Formula

C25H42N2O3 (C25 H42 N2 O3)

Compound Name

3-nitro-N-octadecylbenzamide

IUPAC name

3-nitro-N-octadecylbenzamide

SMILES

CCCCCCCCCCCCCCCCCCNC(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C25H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-25(28)23-19-18-20-24(22-23)27(29)30/h18-20,22H,2-17,21H2,1H3,(H,26,28)

InChI Key

MBGMGVISROGRGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00043747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

9.321

Distribution Coefficient, logD

9.321

Water Solubility, LogSw

-5.68

Polar Surface Area

58.146

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.00

Y031-9363 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-9363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9363?
Check Price and Availability of Y031-9363, 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 Y031-9363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9363
  • 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 Y031-9363 available by request