4554-4669 Screening compound: prop-2-en-1-yl 7-methyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

4554-4669 Screening compound: prop-2-en-1-yl 7-methyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
4554-4669 Screening compound: prop-2-en-1-yl 7-methyl-5-(3-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 4554-4669
prop-2-en-1-yl 7-methyl-5-(3-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

4554-4669

Molecular Formula

C18H16N4O6 (C18 H16 N4 O6)

Compound Name

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

IUPAC name

prop-2-en-1-yl 7-methyl-5-(3-nitrophenyl)-24-dioxo-1H2H3H4H5H8H-pyrido[23-d]pyrimidine-6-carboxylate

SMILES

CC(NC(NC(N1)=O)=C(C2c3cccc([N+]([O-])=O)c3)C1=O)=C2C(OCC=C)=O

InChI

InChI=1S/C18H16N4O6/c1-3-7-28-17(24)12-9(2)19-15-14(16(23)21-18(25)20-15)13(12)10-5-4-6-11(8-10)22(26)27/h3-6,8,13H,1,7H2,2H3,(H3,19,20,21,23,25)/t13-/m0/s1

InChI Key

HQNQLUHAOGXVPG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04425851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

-0.226

Water Solubility, LogSw

-2.29

Polar Surface Area

112.833

Acid Dissociation Constant (pKa)

5.80

Base Dissociation Constant (pKb)

-7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

4554-4669 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 4554-4669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-4669?
Check Price and Availability of 4554-4669, 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 4554-4669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-4669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-4669
  • 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 4554-4669 available by request