Y501-5317 Screening compound: 2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide

Y501-5317 Screening compound: 2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide
Y501-5317 Screening compound: 2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5317
2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide

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

Y501-5317

Molecular Formula

C20H19N5O5S (C20 H19 N5 O5 S)

Compound Name

2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide

IUPAC name

2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide

SMILES

CC(Cn1ncc([N+]([O-])=O)c1)C(Nc1cc(Sc2ccc(C)cc2)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C20H19N5O5S/c1-13-3-5-18(6-4-13)31-19-8-15(7-16(9-19)24(27)28)22-20(26)14(2)11-23-12-17(10-21-23)25(29)30/h3-10,12,14H,11H2,1-2H3,(H,22,26)/t14-/m0/s1

InChI Key

DXWNGNDHSAGTBR-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-4.15

Polar Surface Area

104.598

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y501-5317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5317?
Check Price and Availability of Y501-5317, 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 Y501-5317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5317
  • 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 Y501-5317 available by request