Y504-5572 Screening compound: 2,4-dichloro-5-({[2-(4-chloro-3-nitro-1H-pyrazol-1-yl)ethyl]amino}sulfonyl)benzoic acid

Y504-5572 Screening compound: 2,4-dichloro-5-({[2-(4-chloro-3-nitro-1H-pyrazol-1-yl)ethyl]amino}sulfonyl)benzoic acid
Y504-5572 Screening compound: 2,4-dichloro-5-({[2-(4-chloro-3-nitro-1H-pyrazol-1-yl)ethyl]amino}sulfonyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-5572
2,4-dichloro-5-({[2-(4-chloro-3-nitro-1H-pyrazol-1-yl)ethyl]amino}sulfonyl)benzoic acid

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

Y504-5572

Molecular Formula

C12H9Cl3N4O6S (C12 H9 Cl3 N4 O6 S)

Compound Name

2,4-dichloro-5-({[2-(4-chloro-3-nitro-1H-pyrazol-1-yl)ethyl]amino}sulfonyl)benzoic acid

IUPAC name

n/a

SMILES

[O-][N+](c1nn(CCNS(c(cc(C(O)=O)c(Cl)c2)c2Cl)(=O)=O)cc1Cl)=O

InChI

InChI=1S/C12H9Cl3N4O6S/c13-7-4-8(14)10(3-6(7)12(20)21)26(24,25)16-1-2-18-5-9(15)11(17-18)19(22)23/h3-5,16H,1-2H2,(H,20,21)

InChI Key

IWEMZWHIJQHHEA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.65

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.587

Distribution Coefficient, logD

-2.895

Water Solubility, LogSw

-3.56

Polar Surface Area

118.093

Acid Dissociation Constant (pKa)

1.92

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with Y504-5572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-5572?
Check Price and Availability of Y504-5572, 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 Y504-5572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-5572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-5572
  • 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 Y504-5572 available by request