C733-0641 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-(2,5-dimethylphenyl)acetamide

C733-0641 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-(2,5-dimethylphenyl)acetamide
C733-0641 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-(2,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C733-0641
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-(2,5-dimethylphenyl)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

C733-0641

Molecular Formula

C25H22N4O5 (C25 H22 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-(2,5-dimethylphenyl)acetamide

IUPAC name

2-{3-[(2H-13-benzodioxol-5-yl)methyl]-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-1-yl}-N-(25-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CN(c(nccc2)c2C(N2Cc(cc3)cc4c3OCO4)=O)C2=O)=O)c(C)cc1

InChI

InChI=1S/C25H22N4O5/c1-15-5-6-16(2)19(10-15)27-22(30)13-28-23-18(4-3-9-26-23)24(31)29(25(28)32)12-17-7-8-20-21(11-17)34-14-33-20/h3-11H,12-14H2,1-2H3,(H,27,30)

InChI Key

CPPHEHWWCCCUMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.46

Polar Surface Area

81.165

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C733-0641 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with C733-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C733-0641?
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What is the minimum amount of C733-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C733-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C733-0641
  • 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 C733-0641 available by request