C733-0621 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

C733-0621 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
C733-0621 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C733-0621
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

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

C733-0621

Molecular Formula

C24H17F3N4O5 (C24 H17 F3 N4 O5)

Compound Name

2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{3-[(2H-13-benzodioxol-5-yl)methyl]-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-1-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(c1ncccc1C(N1Cc(cc2)cc3c2OCO3)=O)C1=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C24H17F3N4O5/c25-24(26,27)16-5-1-2-6-17(16)29-20(32)12-30-21-15(4-3-9-28-21)22(33)31(23(30)34)11-14-7-8-18-19(10-14)36-13-35-18/h1-10H,11-13H2,(H,29,32)

InChI Key

OPTQSBNFJSELNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-4.13

Polar Surface Area

81.165

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C733-0621 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C733-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C733-0621?
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What is the minimum amount of C733-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C733-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C733-0621
  • 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 C733-0621 available by request