C733-0614 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

C733-0614 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
C733-0614 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C733-0614
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-fluorophenyl)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

C733-0614

Molecular Formula

C22H16FN3O4 (C22 H16 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccnc1N1Cc(cccc2)c2F)N(Cc(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C22H16FN3O4/c23-17-6-2-1-4-15(17)12-25-20-16(5-3-9-24-20)21(27)26(22(25)28)11-14-7-8-18-19(10-14)30-13-29-18/h1-10H,11-13H2

InChI Key

XOYJWFAQMURRPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.39

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

4.056

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.30

Polar Surface Area

58.713

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C733-0614 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 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 C733-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C733-0614?
Check Price and Availability of C733-0614, 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 C733-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C733-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C733-0614
  • 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 C733-0614 available by request