1834-0007 Screening compound: butyl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1834-0007 Screening compound: butyl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1834-0007 Screening compound: butyl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1834-0007
butyl 1,6-dimethyl-4-(2-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

1834-0007

Molecular Formula

C17H21N3O5 (C17 H21 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCCOC(C(C(c(cccc1)c1[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)12-8-6-7-9-13(12)20(23)24/h6-9,15H,4-5,10H2,1-3H3,(H,18,22)/t15-/m0/s1

InChI Key

LUXNNFMREWLSTH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00785462

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

2.897

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.37

Polar Surface Area

81.803

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 1834-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1834-0007?
Check Price and Availability of 1834-0007, 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 1834-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1834-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1834-0007
  • 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 1834-0007 available by request