G953-0042 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}benzoate

G953-0042 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}benzoate
G953-0042 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}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G953-0042
ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}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

G953-0042

Molecular Formula

C23H27N5O4 (C23 H27 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}benzoate

IUPAC name

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

SMILES

CCC1=C(C)N=C(n2nc(C)cc2C)N(CC(Nc(cccc2)c2C(OCC)=O)=O)C1=O

InChI

InChI=1S/C23H27N5O4/c1-6-17-16(5)24-23(28-15(4)12-14(3)26-28)27(21(17)30)13-20(29)25-19-11-9-8-10-18(19)22(31)32-7-2/h8-12H,6-7,13H2,1-5H3,(H,25,29)

InChI Key

YBZXZFSVRFBTSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

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

2.220

Distribution Coefficient, logD

2.211

Water Solubility, LogSw

-3.00

Polar Surface Area

82.098

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G953-0042 in Drug Discovery

Included in Screening Libraries

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 G953-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G953-0042?
Check Price and Availability of G953-0042, 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 G953-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G953-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G953-0042
  • 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 G953-0042 available by request