C561-2929 Screening compound: ethyl 3-phenyl-2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)propanoate

C561-2929 Screening compound: ethyl 3-phenyl-2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)propanoate
C561-2929 Screening compound: ethyl 3-phenyl-2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2929
ethyl 3-phenyl-2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)propanoate

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

C561-2929

Molecular Formula

C25H30N4O5 (C25 H30 N4 O5)

Compound Name

ethyl 3-phenyl-2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)propanoate

IUPAC name

ethyl 3-phenyl-2-(3-{1357-tetramethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-6-yl}propanamido)propanoate

SMILES

CCOC(C(Cc1ccccc1)NC(CCc1c(C)c(C(N(C)C(N2C)=O)=O)c2nc1C)=O)=O

InChI

InChI=1S/C25H30N4O5/c1-6-34-24(32)19(14-17-10-8-7-9-11-17)27-20(30)13-12-18-15(2)21-22(26-16(18)3)28(4)25(33)29(5)23(21)31/h7-11,19H,6,12-14H2,1-5H3,(H,27,30)/t19-/m0/s1

InChI Key

YOZCVHSOUYBBBC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14771807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.37

Polar Surface Area

86.401

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C561-2929 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C561-2929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2929?
Check Price and Availability of C561-2929, 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 C561-2929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2929
  • 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 C561-2929 available by request