J026-3805 Screening compound: methyl 3-{[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3805 Screening compound: methyl 3-{[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3805 Screening compound: methyl 3-{[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3805
methyl 3-{[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-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

J026-3805

Molecular Formula

C22H19BrN4O5 (C22 H19 BrN4 O5)

Compound Name

methyl 3-{[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

methyl 3-{[2-(3-bromophenyl)-5-methyl-13-oxazol-4-yl]methyl}-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

Cc1c(CN(C(c2c(N3C)nc(C)cc2C(OC)=O)=O)C3=O)nc(-c2cccc(Br)c2)o1

InChI

InChI=1S/C22H19BrN4O5/c1-11-8-15(21(29)31-4)17-18(24-11)26(3)22(30)27(20(17)28)10-16-12(2)32-19(25-16)13-6-5-7-14(23)9-13/h5-9H,10H2,1-4H3

InChI Key

DSMUXGSSEXVYGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.38

Polar Surface Area

80.305

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

J026-3805 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J026-3805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3805?
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What is the minimum amount of J026-3805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3805
  • 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 J026-3805 available by request