C733-0610 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

C733-0610 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
C733-0610 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C733-0610
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

C733-0610

Molecular Formula

C23H19N3O4 (C23 H19 N3 O4)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc1c(CN(c(nccc2)c2C(N2Cc(cc3)cc4c3OCO4)=O)C2=O)cccc1

InChI

InChI=1S/C23H19N3O4/c1-15-5-2-3-6-17(15)13-25-21-18(7-4-10-24-21)22(27)26(23(25)28)12-16-8-9-19-20(11-16)30-14-29-19/h2-11H,12-14H2,1H3

InChI Key

PKWYHPUIJIGYBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.33

Polar Surface Area

58.713

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C733-0610 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C733-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C733-0610?
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What is the minimum amount of C733-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C733-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C733-0610
  • 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 C733-0610 available by request