C665-0336 Screening compound: 1-(4-methylbenzenesulfonyl)-3-(3,4,5-triethoxyphenyl)-1H-pyrazol-5-amine

C665-0336 Screening compound: 1-(4-methylbenzenesulfonyl)-3-(3,4,5-triethoxyphenyl)-1H-pyrazol-5-amine
C665-0336 Screening compound: 1-(4-methylbenzenesulfonyl)-3-(3,4,5-triethoxyphenyl)-1H-pyrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C665-0336
1-(4-methylbenzenesulfonyl)-3-(3,4,5-triethoxyphenyl)-1H-pyrazol-5-amine

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

C665-0336

Molecular Formula

C22H27N3O5S (C22 H27 N3 O5 S)

Compound Name

1-(4-methylbenzenesulfonyl)-3-(3,4,5-triethoxyphenyl)-1H-pyrazol-5-amine

IUPAC name

1-(4-methylbenzenesulfonyl)-3-(345-triethoxyphenyl)-1H-pyrazol-5-amine

SMILES

CCOc1cc(-c(cc2N)nn2S(c2ccc(C)cc2)(=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C22H27N3O5S/c1-5-28-19-12-16(13-20(29-6-2)22(19)30-7-3)18-14-21(23)25(24-18)31(26,27)17-10-8-15(4)9-11-17/h8-14H,5-7,23H2,1-4H3

InChI Key

DIGAOCXNTNQNDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-3.99

Polar Surface Area

81.913

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C665-0336 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C665-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C665-0336?
Check Price and Availability of C665-0336, 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 C665-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C665-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C665-0336
  • 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 C665-0336 available by request