2326-3206 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2326-3206 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2326-3206 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2326-3206
(2H-1,3-benzodioxol-5-yl)methyl 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

2326-3206

Molecular Formula

C20H17N3O7 (C20 H17 N3 O7)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1c(cc2)ccc2[N+]([O-])=O)=O)=C1C(OCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H17N3O7/c1-11-17(19(24)28-9-12-2-7-15-16(8-12)30-10-29-15)18(22-20(25)21-11)13-3-5-14(6-4-13)23(26)27/h2-8,18H,9-10H2,1H3,(H2,21,22,25)/t18-/m0/s1

InChI Key

FFKHUXRZDMVHLC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01192475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.466

Distribution Coefficient, logD

2.376

Water Solubility, LogSw

-3.06

Polar Surface Area

107.046

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2326-3206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2326-3206?
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What is the minimum amount of 2326-3206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2326-3206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2326-3206
  • 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 2326-3206 available by request