C561-3047 Screening compound: N-(4-ethylphenyl)-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide

C561-3047 Screening compound: N-(4-ethylphenyl)-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide
C561-3047 Screening compound: N-(4-ethylphenyl)-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3047
N-(4-ethylphenyl)-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide

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

C561-3047

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

N-(4-ethylphenyl)-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide

IUPAC name

N-(4-ethylphenyl)-3-{1357-tetramethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-6-yl}propanamide

SMILES

CCc(cc1)ccc1NC(CCc1c(C)c(C(N(C)C(N2C)=O)=O)c2nc1C)=O

InChI

InChI=1S/C22H26N4O3/c1-6-15-7-9-16(10-8-15)24-18(27)12-11-17-13(2)19-20(23-14(17)3)25(4)22(29)26(5)21(19)28/h7-10H,6,11-12H2,1-5H3,(H,24,27)

InChI Key

OJJJPQABDMXXMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-4.26

Polar Surface Area

64.695

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C561-3047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3047?
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What is the minimum amount of C561-3047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3047
  • 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 C561-3047 available by request