4476-0146 Screening compound: methyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4476-0146 Screening compound: methyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4476-0146 Screening compound: methyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-0146
methyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-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

4476-0146

Molecular Formula

C16H16N2O6 (C16 H16 N2 O6)

Compound Name

methyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 3-acetyl-4-(2H-13-benzodioxol-5-yl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(C(c(cc1)cc2c1OCO2)C(C(OC)=O)=C(C)N1)C1=O)=O

InChI

InChI=1S/C16H16N2O6/c1-8-13(15(20)22-3)14(18(9(2)19)16(21)17-8)10-4-5-11-12(6-10)24-7-23-11/h4-6,14H,7H2,1-3H3,(H,17,21)/t14-/m0/s1

InChI Key

QNQNBSBTWIAYFI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01072321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.533

Distribution Coefficient, logD

-1.461

Water Solubility, LogSw

-2.03

Polar Surface Area

78.271

Acid Dissociation Constant (pKa)

4.41

Base Dissociation Constant (pKb)

-7.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 4476-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-0146?
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What is the minimum amount of 4476-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-0146
  • 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 4476-0146 available by request