2204-2939 Screening compound: propan-2-yl 1-ethyl-6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2204-2939 Screening compound: propan-2-yl 1-ethyl-6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2204-2939 Screening compound: propan-2-yl 1-ethyl-6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2204-2939
propan-2-yl 1-ethyl-6-methyl-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

2204-2939

Molecular Formula

C17H21N3O5 (C17 H21 N3 O5)

Compound Name

propan-2-yl 1-ethyl-6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

n/a

SMILES

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

InChI

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

InChI Key

OZIILXMYIGXSGV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01193813

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

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.34

Polar Surface Area

81.448

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 2204-2939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2204-2939?
Check Price and Availability of 2204-2939, 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 2204-2939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2204-2939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2204-2939
  • 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 2204-2939 available by request