C561-2916 Screening compound: ethyl 3-methyl-2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)butanoate

C561-2916 Screening compound: ethyl 3-methyl-2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)butanoate
C561-2916 Screening compound: ethyl 3-methyl-2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2916
ethyl 3-methyl-2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)butanoate

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

C561-2916

Molecular Formula

C21H30N4O5 (C21 H30 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H30N4O5/c1-8-30-20(28)17(11(2)3)23-15(26)10-9-14-12(4)16-18(22-13(14)5)24(6)21(29)25(7)19(16)27/h11,17H,8-10H2,1-7H3,(H,23,26)/t17-/m0/s1

InChI Key

GFXKTCJDCVYZDK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14771794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-2.67

Polar Surface Area

86.394

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

C561-2916 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C561-2916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2916?
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What is the minimum amount of C561-2916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2916
  • 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 C561-2916 available by request