G953-0269 Screening compound: ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-3-yl]acetamido}benzoate

G953-0269 Screening compound: ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-3-yl]acetamido}benzoate
G953-0269 Screening compound: ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-3-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G953-0269
ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-3-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

G953-0269

Molecular Formula

C23H25N5O4 (C23 H25 N5 O4)

Compound Name

ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-3-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[2-(35-dimethyl-1H-pyrazol-1-yl)-4-oxo-3H4H5H6H7H-cyclopenta[d]pyrimidin-3-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN1C(n2nc(C)cc2C)=NC(CCC2)=C2C1=O)=O)=O

InChI

InChI=1S/C23H25N5O4/c1-4-32-22(31)17-8-5-6-10-19(17)24-20(29)13-27-21(30)16-9-7-11-18(16)25-23(27)28-15(3)12-14(2)26-28/h5-6,8,10,12H,4,7,9,11,13H2,1-3H3,(H,24,29)

InChI Key

UATJPTRDGGJJQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08958916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-2.71

Polar Surface Area

82.784

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G953-0269 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with G953-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G953-0269?
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What is the minimum amount of G953-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G953-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G953-0269
  • 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 G953-0269 available by request