Y501-5974 Screening compound: N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-4-nitro-1-benzenesulfonamide

Y501-5974 Screening compound: N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-4-nitro-1-benzenesulfonamide
Y501-5974 Screening compound: N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-4-nitro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5974
N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-4-nitro-1-benzenesulfonamide

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

Y501-5974

Molecular Formula

C12H13BrN4O4S (C12 H13 BrN4 O4 S)

Compound Name

N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-4-nitro-1-benzenesulfonamide

IUPAC name

N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-4-nitrobenzene-1-sulfonamide

SMILES

CN(Cc(n(C)nc1)c1Br)S(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C12H13BrN4O4S/c1-15(8-12-11(13)7-14-16(12)2)22(20,21)10-5-3-9(4-6-10)17(18)19/h3-7H,8H2,1-2H3

InChI Key

ANGBFCLURKDLPW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.891

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.50

Polar Surface Area

80.181

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y501-5974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5974?
Check Price and Availability of Y501-5974, 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 Y501-5974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5974
  • 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 Y501-5974 available by request