Y205-0166 Screening compound: 4-{[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]amino}-4-oxobutanoic acid

Y205-0166 Screening compound: 4-{[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]amino}-4-oxobutanoic acid
Y205-0166 Screening compound: 4-{[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]amino}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-0166
4-{[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]amino}-4-oxobutanoic 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

Y205-0166

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

4-{[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]amino}-4-oxobutanoic acid

IUPAC name

3-({35-dimethyl-1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}carbamoyl)propanoic acid

SMILES

Cc(n(Cc1cc(Oc2ccccc2)ccc1)nc1C)c1NC(CCC(O)=O)=O

InChI

InChI=1S/C22H23N3O4/c1-15-22(23-20(26)11-12-21(27)28)16(2)25(24-15)14-17-7-6-10-19(13-17)29-18-8-4-3-5-9-18/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,27,28)

InChI Key

WOSIKKOPTJKCLS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.095

Distribution Coefficient, logD

-0.855

Water Solubility, LogSw

-2.91

Polar Surface Area

71.406

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

Y205-0166 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y205-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-0166?
Check Price and Availability of Y205-0166, 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 Y205-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-0166
  • 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 Y205-0166 available by request