Y031-9233 Screening compound: 2-methyl-2-{[(4-nitrophenyl)sulfonyl]amino}propyl 4-nitro-1-benzenesulfonate

Y031-9233 Screening compound: 2-methyl-2-{[(4-nitrophenyl)sulfonyl]amino}propyl 4-nitro-1-benzenesulfonate
Y031-9233 Screening compound: 2-methyl-2-{[(4-nitrophenyl)sulfonyl]amino}propyl 4-nitro-1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9233
2-methyl-2-{[(4-nitrophenyl)sulfonyl]amino}propyl 4-nitro-1-benzenesulfonate

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

Y031-9233

Molecular Formula

C16H17N3O9S2 (C16 H17 N3 O9 S2)

Compound Name

2-methyl-2-{[(4-nitrophenyl)sulfonyl]amino}propyl 4-nitro-1-benzenesulfonate

IUPAC name

N-{2-methyl-1-[(4-nitrobenzenesulfonyl)oxy]propan-2-yl}-4-nitrobenzene-1-sulfonamide

SMILES

CC(C)(COS(c(cc1)ccc1[N+]([O-])=O)(=O)=O)NS(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C16H17N3O9S2/c1-16(2,17-29(24,25)14-7-3-12(4-8-14)18(20)21)11-28-30(26,27)15-9-5-13(6-10-15)19(22)23/h3-10,17H,11H2,1-2H3

InChI Key

XHPFFZYBMYEZQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01655281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.46

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

2.455

Water Solubility, LogSw

-2.87

Polar Surface Area

145.624

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y031-9233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9233?
Check Price and Availability of Y031-9233, 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 Y031-9233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9233
  • 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 Y031-9233 available by request