C561-2924 Screening compound: ethyl 3-(4-ethoxy-3-methoxyphenyl)-3-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)propanoate

C561-2924 Screening compound: ethyl 3-(4-ethoxy-3-methoxyphenyl)-3-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)propanoate
C561-2924 Screening compound: ethyl 3-(4-ethoxy-3-methoxyphenyl)-3-(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 C561-2924
ethyl 3-(4-ethoxy-3-methoxyphenyl)-3-(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

C561-2924

Molecular Formula

C28H36N4O7 (C28 H36 N4 O7)

Compound Name

ethyl 3-(4-ethoxy-3-methoxyphenyl)-3-(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-(4-ethoxy-3-methoxyphenyl)-3-(3-{1357-tetramethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-6-yl}propanamido)propanoate

SMILES

CCOC(CC(c(cc1)cc(OC)c1OCC)NC(CCc1c(C)c(C(N(C)C(N2C)=O)=O)c2nc1C)=O)=O

InChI

InChI=1S/C28H36N4O7/c1-8-38-21-12-10-18(14-22(21)37-7)20(15-24(34)39-9-2)30-23(33)13-11-19-16(3)25-26(29-17(19)4)31(5)28(36)32(6)27(25)35/h10,12,14,20H,8-9,11,13,15H2,1-7H3,(H,30,33)/t20-/m0/s1

InChI Key

PTVJWCFVTCWSEF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14771802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.58

Polar Surface Area

100.647

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

C561-2924 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C561-2924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2924?
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What is the minimum amount of C561-2924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2924
  • 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 C561-2924 available by request