C561-3030 Screening compound: 3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide

C561-3030 Screening compound: 3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
C561-3030 Screening compound: 3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3030
3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}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

C561-3030

Molecular Formula

C23H25F3N4O4 (C23 H25 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-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide

IUPAC name

3-{1357-tetramethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-6-yl}-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide

SMILES

Cc(c(CCC(NCCOc1cccc(C(F)(F)F)c1)=O)c(C)nc1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C23H25F3N4O4/c1-13-17(14(2)28-20-19(13)21(32)30(4)22(33)29(20)3)8-9-18(31)27-10-11-34-16-7-5-6-15(12-16)23(24,25)26/h5-7,12H,8-11H2,1-4H3,(H,27,31)

InChI Key

ICZMFBFSWIYCDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

3.731

Water Solubility, LogSw

-4.35

Polar Surface Area

73.276

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C561-3030 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C561-3030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3030?
Check Price and Availability of C561-3030, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C561-3030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3030
  • 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 C561-3030 available by request