3215-0882 Screening compound: benzyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3215-0882 Screening compound: benzyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3215-0882 Screening compound: benzyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3215-0882
benzyl 4-(3,4-dimethoxyphenyl)-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

3215-0882

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

benzyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

benzyl 4-(34-dimethoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2)cc(OC)c2OC)=O)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C21H22N2O5/c1-13-18(20(24)28-12-14-7-5-4-6-8-14)19(23-21(25)22-13)15-9-10-16(26-2)17(11-15)27-3/h4-11,19H,12H2,1-3H3,(H2,22,23,25)/t19-/m1/s1

InChI Key

IKAOSVDOPFBOLC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01033919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.380

Distribution Coefficient, logD

2.291

Water Solubility, LogSw

-2.98

Polar Surface Area

71.810

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

3215-0882 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3215-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3215-0882?
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What is the minimum amount of 3215-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3215-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3215-0882
  • 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 3215-0882 available by request