C733-0162 Screening compound: 3-[(2-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

C733-0162 Screening compound: 3-[(2-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
C733-0162 Screening compound: 3-[(2-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C733-0162
3-[(2-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]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

C733-0162

Molecular Formula

C22H15ClF3N3O2 (C22 H15 ClF3 N3 O2)

Compound Name

3-[(2-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

3-[(2-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

O=C(c1c(N2Cc3cc(C(F)(F)F)ccc3)nccc1)N(Cc(cccc1)c1Cl)C2=O

InChI

InChI=1S/C22H15ClF3N3O2/c23-18-9-2-1-6-15(18)13-29-20(30)17-8-4-10-27-19(17)28(21(29)31)12-14-5-3-7-16(11-14)22(24,25)26/h1-11H,12-13H2

InChI Key

FTXSUCPLUBBWBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.285

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.82

Polar Surface Area

41.598

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C733-0162 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C733-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C733-0162?
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What is the minimum amount of C733-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C733-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C733-0162
  • 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 C733-0162 available by request