4153-0016 Screening compound: N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carbohydrazide

4153-0016 Screening compound: N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carbohydrazide
4153-0016 Screening compound: N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4153-0016
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carbohydrazide

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

4153-0016

Molecular Formula

C18H16N6O6 (C18 H16 N6 O6)

Compound Name

N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carbohydrazide

IUPAC name

N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-137-trimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-6-carbohydrazide

SMILES

Cc(nc(c(C(N1C)=O)c2)N(C)C1=O)c2C(N/N=C/c(cc(cc1)[N+]([O-])=O)c1O)=O

InChI

InChI=1S/C18H16N6O6/c1-9-12(7-13-15(20-9)22(2)18(28)23(3)17(13)27)16(26)21-19-8-10-6-11(24(29)30)4-5-14(10)25/h4-8,25H,1-3H3,(H,21,26)

InChI Key

KZAPBPSQYUPQSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00717258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.36

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

1.707

Water Solubility, LogSw

-2.88

Polar Surface Area

127.062

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4153-0016 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4153-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4153-0016?
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What is the minimum amount of 4153-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4153-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4153-0016
  • 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 4153-0016 available by request