K089-0171 Screening compound: N-({N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}methyl)-4-methylbenzene-1-sulfonamide

K089-0171 Screening compound: N-({N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}methyl)-4-methylbenzene-1-sulfonamide
K089-0171 Screening compound: N-({N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}methyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0171
N-({N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}methyl)-4-methylbenzene-1-sulfonamide

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

K089-0171

Molecular Formula

C23H26N6O6S (C23 H26 N6 O6 S)

Compound Name

N-({N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}methyl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-({N'-[(E)-{3-[(35-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}methyl)-4-methylbenzene-1-sulfonamide

SMILES

Cc(n(Cc(cc(/C=N/NC(CNS(c1ccc(C)cc1)(=O)=O)=O)cc1)c1OC)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C23H26N6O6S/c1-15-5-8-20(9-6-15)36(33,34)25-13-22(30)26-24-12-18-7-10-21(35-4)19(11-18)14-28-17(3)23(29(31)32)16(2)27-28/h5-12,25H,13-14H2,1-4H3,(H,26,30)

InChI Key

WZMUOZYOHIEYIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.56

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.51

Polar Surface Area

132.063

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with K089-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K089-0171?
Check Price and Availability of K089-0171, 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 K089-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0171
  • 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 K089-0171 available by request