5096-1480 Screening compound: methyl 5-(4-bromophenyl)-7-methyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

5096-1480 Screening compound: methyl 5-(4-bromophenyl)-7-methyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
5096-1480 Screening compound: methyl 5-(4-bromophenyl)-7-methyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5096-1480
methyl 5-(4-bromophenyl)-7-methyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

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

5096-1480

Molecular Formula

C16H14BrN3O4 (C16 H14 BrN3 O4)

Compound Name

methyl 5-(4-bromophenyl)-7-methyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

IUPAC name

methyl 5-(4-bromophenyl)-7-methyl-24-dioxo-1H2H3H4H5H8H-pyrido[23-d]pyrimidine-6-carboxylate

SMILES

CC(NC(NC(N1)=O)=C(C2c(cc3)ccc3Br)C1=O)=C2C(OC)=O

InChI

InChI=1S/C16H14BrN3O4/c1-7-10(15(22)24-2)11(8-3-5-9(17)6-4-8)12-13(18-7)19-16(23)20-14(12)21/h3-6,11H,1-2H3,(H3,18,19,20,21,23)/t11-/m0/s1

InChI Key

MNKPJDUXMVBZGF-NSHDSACASA-N

MDL Number (MFCD)

MFCD02730910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.907

Distribution Coefficient, logD

0.046

Water Solubility, LogSw

-2.50

Polar Surface Area

79.577

Acid Dissociation Constant (pKa)

5.54

Base Dissociation Constant (pKb)

-7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

5096-1480 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5096-1480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5096-1480?
Check Price and Availability of 5096-1480, 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 5096-1480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5096-1480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5096-1480
  • 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 5096-1480 available by request