G953-0050 Screening compound: ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}acetate

G953-0050 Screening compound: ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}acetate
G953-0050 Screening compound: ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G953-0050
ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}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

G953-0050

Molecular Formula

C18H25N5O4 (C18 H25 N5 O4)

Compound Name

ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}acetate

IUPAC name

ethyl 2-{2-[2-(35-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-16-dihydropyrimidin-1-yl]acetamido}acetate

SMILES

CCC1=C(C)N=C(n2nc(C)cc2C)N(CC(NCC(OCC)=O)=O)C1=O

InChI

InChI=1S/C18H25N5O4/c1-6-14-13(5)20-18(23-12(4)8-11(3)21-23)22(17(14)26)10-15(24)19-9-16(25)27-7-2/h8H,6-7,9-10H2,1-5H3,(H,19,24)

InChI Key

VWNLLUGBBQUJBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.351

Distribution Coefficient, logD

0.351

Water Solubility, LogSw

-1.49

Polar Surface Area

83.795

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G953-0050 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G953-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G953-0050?
Check Price and Availability of G953-0050, 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 G953-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G953-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G953-0050
  • 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 G953-0050 available by request