Y206-9652 Screening compound: methyl 2-[({[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]amino}carbonyl)amino]benzoate

Y206-9652 Screening compound: methyl 2-[({[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]amino}carbonyl)amino]benzoate
Y206-9652 Screening compound: methyl 2-[({[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]amino}carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-9652
methyl 2-[({[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]amino}carbonyl)amino]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

Y206-9652

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

methyl 2-[({[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]amino}carbonyl)amino]benzoate

IUPAC name

methyl 2-[({35-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}carbamoyl)amino]benzoate

SMILES

Cc(n(Cc1c(C)cccc1)nc1C)c1NC(Nc(cccc1)c1C(OC)=O)=O

InChI

InChI=1S/C22H24N4O3/c1-14-9-5-6-10-17(14)13-26-16(3)20(15(2)25-26)24-22(28)23-19-12-8-7-11-18(19)21(27)29-4/h5-12H,13H2,1-4H3,(H2,23,24,28)

InChI Key

XOFGCNMXQPXXGZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.01

Polar Surface Area

65.904

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

Y206-9652 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y206-9652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-9652?
Check Price and Availability of Y206-9652, 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 Y206-9652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-9652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-9652
  • 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 Y206-9652 available by request