4789-0353 Screening compound: methyl 7-methyl-5-(4-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

4789-0353 Screening compound: methyl 7-methyl-5-(4-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
4789-0353 Screening compound: methyl 7-methyl-5-(4-nitrophenyl)-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 4789-0353
methyl 7-methyl-5-(4-nitrophenyl)-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

4789-0353

Molecular Formula

C16H14N4O6 (C16 H14 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC(N1)=O)=C(C2c(cc3)ccc3[N+]([O-])=O)C1=O)=C2C(OC)=O

InChI

InChI=1S/C16H14N4O6/c1-7-10(15(22)26-2)11(8-3-5-9(6-4-8)20(24)25)12-13(17-7)18-16(23)19-14(12)21/h3-6,11H,1-2H3,(H3,17,18,19,21,23)/t11-/m0/s1

InChI Key

UKYDDBTZWTVSKW-NSHDSACASA-N

MDL Number (MFCD)

MFCD01033945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.999

Distribution Coefficient, logD

-0.862

Water Solubility, LogSw

-2.23

Polar Surface Area

112.959

Acid Dissociation Constant (pKa)

5.54

Base Dissociation Constant (pKb)

-7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

4789-0353 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4789-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-0353?
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What is the minimum amount of 4789-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-0353
  • 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 4789-0353 available by request