8016-3550 Screening compound: ethyl 2-(4-{[3-(4-methoxyphenyl)propanoyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate

8016-3550 Screening compound: ethyl 2-(4-{[3-(4-methoxyphenyl)propanoyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
8016-3550 Screening compound: ethyl 2-(4-{[3-(4-methoxyphenyl)propanoyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3550
ethyl 2-(4-{[3-(4-methoxyphenyl)propanoyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate

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

8016-3550

Molecular Formula

C19H25N3O4 (C19 H25 N3 O4)

Compound Name

ethyl 2-(4-{[3-(4-methoxyphenyl)propanoyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate

IUPAC name

ethyl 2-{4-[3-(4-methoxyphenyl)propanamido]-35-dimethyl-1H-pyrazol-1-yl}acetate

SMILES

CCOC(Cn1nc(C)c(NC(CCc(cc2)ccc2OC)=O)c1C)=O

InChI

InChI=1S/C19H25N3O4/c1-5-26-18(24)12-22-14(3)19(13(2)21-22)20-17(23)11-8-15-6-9-16(25-4)10-7-15/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,20,23)

InChI Key

DVHWRKQVDKYSEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.641

Distribution Coefficient, logD

1.640

Water Solubility, LogSw

-2.30

Polar Surface Area

63.976

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

8016-3550 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8016-3550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3550?
Check Price and Availability of 8016-3550, 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 8016-3550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3550
  • 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 8016-3550 available by request