C561-3118 Screening compound: 3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

C561-3118 Screening compound: 3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide
C561-3118 Screening compound: 3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3118
3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-[4-(trifluoromethoxy)phenyl]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

C561-3118

Molecular Formula

C21H21F3N4O4 (C21 H21 F3 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(CCC(Nc(cc1)ccc1OC(F)(F)F)=O)c(C)nc1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C21H21F3N4O4/c1-11-15(12(2)25-18-17(11)19(30)28(4)20(31)27(18)3)9-10-16(29)26-13-5-7-14(8-6-13)32-21(22,23)24/h5-8H,9-10H2,1-4H3,(H,26,29)

InChI Key

NQMODDWJDCVREP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.46

Polar Surface Area

70.632

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C561-3118 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C561-3118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3118?
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What is the minimum amount of C561-3118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3118
  • 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 C561-3118 available by request