8008-8883 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8008-8883 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8008-8883 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8883
(2H-1,3-benzodioxol-5-yl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-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

8008-8883

Molecular Formula

C23H24N2O6 (C23 H24 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1c(C(C(C(OCc(cc2)cc3c2OCO3)=O)=C(C)N2)NC2=O)cccc1

InChI

InChI=1S/C23H24N2O6/c1-3-10-28-17-7-5-4-6-16(17)21-20(14(2)24-23(27)25-21)22(26)29-12-15-8-9-18-19(11-15)31-13-30-18/h4-9,11,21H,3,10,12-13H2,1-2H3,(H2,24,25,27)/t21-/m1/s1

InChI Key

BIMUJKHZHKKVFX-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-3.95

Polar Surface Area

81.169

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 8008-8883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8883?
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What is the minimum amount of 8008-8883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8883
  • 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 8008-8883 available by request