J026-4444 Screening compound: 3-[(2-chloro-4-fluorophenyl)methyl]-N,N-diethyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

J026-4444 Screening compound: 3-[(2-chloro-4-fluorophenyl)methyl]-N,N-diethyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide
J026-4444 Screening compound: 3-[(2-chloro-4-fluorophenyl)methyl]-N,N-diethyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-4444
3-[(2-chloro-4-fluorophenyl)methyl]-N,N-diethyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

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

J026-4444

Molecular Formula

C21H22ClFN4O3 (C21 H22 ClFN4 O3)

Compound Name

3-[(2-chloro-4-fluorophenyl)methyl]-N,N-diethyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

3-[(2-chloro-4-fluorophenyl)methyl]-NN-diethyl-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CCN(CC)C(c1cc(C)nc(N(C)C(N2Cc(ccc(F)c3)c3Cl)=O)c1C2=O)=O

InChI

InChI=1S/C21H22ClFN4O3/c1-5-26(6-2)19(28)15-9-12(3)24-18-17(15)20(29)27(21(30)25(18)4)11-13-7-8-14(23)10-16(13)22/h7-10H,5-6,11H2,1-4H3

InChI Key

GGIMTQBHAMRFCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.463

Distribution Coefficient, logD

3.463

Water Solubility, LogSw

-4.17

Polar Surface Area

56.941

Acid Dissociation Constant (pKa)

26.41

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J026-4444 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J026-4444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-4444?
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What is the minimum amount of J026-4444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-4444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-4444
  • 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 J026-4444 available by request