C561-3032 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide

C561-3032 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}propanamide
C561-3032 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-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 C561-3032
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-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

C561-3032

Molecular Formula

C27H34FN5O3 (C27 H34 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(CCC(NCC1CCN(Cc(cc2)ccc2F)CC1)=O)c(C)nc1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C27H34FN5O3/c1-17-22(18(2)30-25-24(17)26(35)32(4)27(36)31(25)3)9-10-23(34)29-15-19-11-13-33(14-12-19)16-20-5-7-21(28)8-6-20/h5-8,19H,9-16H2,1-4H3,(H,29,34)

InChI Key

PCCPMCSNGUHMDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.232

Distribution Coefficient, logD

1.443

Water Solubility, LogSw

-3.54

Polar Surface Area

69.749

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

C561-3032 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C561-3032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3032?
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What is the minimum amount of C561-3032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3032
  • 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 C561-3032 available by request