C436-2675 Screening compound: ethyl 3-{2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate

C436-2675 Screening compound: ethyl 3-{2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate
C436-2675 Screening compound: ethyl 3-{2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-2675
ethyl 3-{2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate

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

C436-2675

Molecular Formula

C23H26N4O5S (C23 H26 N4 O5 S)

Compound Name

ethyl 3-{2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate

IUPAC name

ethyl 3-{2-[N-(4-methylphenyl)35-dimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate

SMILES

CCOC(c1cccc(NC(CN(c2ccc(C)cc2)S(c2c(C)[nH]nc2C)(=O)=O)=O)c1)=O

InChI

InChI=1S/C23H26N4O5S/c1-5-32-23(29)18-7-6-8-19(13-18)24-21(28)14-27(20-11-9-15(2)10-12-20)33(30,31)22-16(3)25-26-17(22)4/h6-13H,5,14H2,1-4H3,(H,24,28)(H,25,26)

InChI Key

TVRDXFBHNPBFKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-3.94

Polar Surface Area

99.610

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C436-2675 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C436-2675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-2675?
Check Price and Availability of C436-2675, 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 C436-2675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-2675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-2675
  • 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 C436-2675 available by request