Y503-1831 Screening compound: 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperazino}-1-propanone

Y503-1831 Screening compound: 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperazino}-1-propanone
Y503-1831 Screening compound: 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperazino}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-1831
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperazino}-1-propanone

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

Y503-1831

Molecular Formula

C16H22ClN7O5S (C16 H22 ClN7 O5 S)

Compound Name

3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperazino}-1-propanone

IUPAC name

3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}propan-1-one

SMILES

CCn1nc(C)c(S(N(CC2)CCN2C(CCn(cc2Cl)nc2[N+]([O-])=O)=O)(=O)=O)c1

InChI

InChI=1S/C16H22ClN7O5S/c1-3-21-11-14(12(2)18-21)30(28,29)23-8-6-20(7-9-23)15(25)4-5-22-10-13(17)16(19-22)24(26)27/h10-11H,3-9H2,1-2H3

InChI Key

HSBBJXFBEUTOEL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.91

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.197

Distribution Coefficient, logD

-0.197

Water Solubility, LogSw

-2.38

Polar Surface Area

110.579

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

References: we are preparing a list of scientific research reports with Y503-1831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-1831?
Check Price and Availability of Y503-1831, 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 Y503-1831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-1831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-1831
  • 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 Y503-1831 available by request