4415-7247 Screening compound: propyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4415-7247 Screening compound: propyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4415-7247 Screening compound: propyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4415-7247
propyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-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

4415-7247

Molecular Formula

C16H19N3O7 (C16 H19 N3 O7)

Compound Name

propyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCOC(C(C(c(cc1OC)cc([N+]([O-])=O)c1O)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C16H19N3O7/c1-4-5-26-15(21)12-8(2)17-16(22)18-13(12)9-6-10(19(23)24)14(20)11(7-9)25-3/h6-7,13,20H,4-5H2,1-3H3,(H2,17,18,22)/t13-/m0/s1

InChI Key

RYAGVQAPTVCCBA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03145156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.676

Distribution Coefficient, logD

0.863

Water Solubility, LogSw

-2.36

Polar Surface Area

112.930

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 4415-7247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4415-7247?
Check Price and Availability of 4415-7247, 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 4415-7247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4415-7247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4415-7247
  • 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 4415-7247 available by request