C561-3117 Screening compound: methyl 4-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)benzoate

C561-3117 Screening compound: methyl 4-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)benzoate
C561-3117 Screening compound: methyl 4-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3117
methyl 4-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamido)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

C561-3117

Molecular Formula

C22H24N4O5 (C22 H24 N4 O5)

Compound Name

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

IUPAC name

methyl 4-(3-{1357-tetramethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-6-yl}propanamido)benzoate

SMILES

Cc1c(CCC(Nc(cc2)ccc2C(OC)=O)=O)c(C)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C22H24N4O5/c1-12-16(13(2)23-19-18(12)20(28)26(4)22(30)25(19)3)10-11-17(27)24-15-8-6-14(7-9-15)21(29)31-5/h6-9H,10-11H2,1-5H3,(H,24,27)

InChI Key

VLOZUPBUCHJTFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

3.064

Water Solubility, LogSw

-3.49

Polar Surface Area

85.869

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C561-3117 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C561-3117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3117?
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What is the minimum amount of C561-3117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3117
  • 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 C561-3117 available by request