Y503-1057 Screening compound: N~1~-(sec-butyl)-4-methyl-3-nitrobenzamide

Y503-1057 Screening compound: N~1~-(sec-butyl)-4-methyl-3-nitrobenzamide
Y503-1057 Screening compound: N~1~-(sec-butyl)-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-1057
N~1~-(sec-butyl)-4-methyl-3-nitrobenzamide

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

Y503-1057

Molecular Formula

C12H16N2O3 (C12 H16 N2 O3)

Compound Name

N~1~-(sec-butyl)-4-methyl-3-nitrobenzamide

IUPAC name

N-(butan-2-yl)-4-methyl-3-nitrobenzamide

SMILES

CCC(C)NC(c1cc([N+]([O-])=O)c(C)cc1)=O

InChI

InChI=1S/C12H16N2O3/c1-4-9(3)13-12(15)10-6-5-8(2)11(7-10)14(16)17/h5-7,9H,4H2,1-3H3,(H,13,15)/t9-/m0/s1

InChI Key

NYTBNNHPQVULBM-VIFPVBQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.315

Distribution Coefficient, logD

2.315

Water Solubility, LogSw

-2.70

Polar Surface Area

57.445

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

Y503-1057 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y503-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-1057?
Check Price and Availability of Y503-1057, 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 Y503-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-1057
  • 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 Y503-1057 available by request