1883-0025 Screening compound: butyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1883-0025 Screening compound: butyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1883-0025 Screening compound: butyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1883-0025
butyl 1,6-dimethyl-4-(4-nitrophenyl)-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

1883-0025

Molecular Formula

C17H21N3O5 (C17 H21 N3 O5)

Compound Name

butyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

butyl 16-dimethyl-4-(4-nitrophenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCOC(C(C(c(cc1)ccc1[N+]([O-])=O)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C17H21N3O5/c1-4-5-10-25-16(21)14-11(2)19(3)17(22)18-15(14)12-6-8-13(9-7-12)20(23)24/h6-9,15H,4-5,10H2,1-3H3,(H,18,22)/t15-/m0/s1

InChI Key

JFVCJBJLUHCTAN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00785465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-3.29

Polar Surface Area

82.104

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

1883-0025 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1883-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1883-0025?
Check Price and Availability of 1883-0025, 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 1883-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1883-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1883-0025
  • 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 1883-0025 available by request