1308-0482 Screening compound: 2-phenylethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1308-0482 Screening compound: 2-phenylethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1308-0482 Screening compound: 2-phenylethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1308-0482
2-phenylethyl 4-(2,5-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

1308-0482

Molecular Formula

C22H24N2O5 (C22 H24 N2 O5)

Compound Name

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

IUPAC name

2-phenylethyl 4-(25-dimethoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc(cc2)OC)c2OC)=O)=C1C(OCCc1ccccc1)=O

InChI

InChI=1S/C22H24N2O5/c1-14-19(21(25)29-12-11-15-7-5-4-6-8-15)20(24-22(26)23-14)17-13-16(27-2)9-10-18(17)28-3/h4-10,13,20H,11-12H2,1-3H3,(H2,23,24,26)/t20-/m1/s1

InChI Key

HUCRHELOSHPKNT-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00337151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.182

Water Solubility, LogSw

-3.63

Polar Surface Area

71.642

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

1308-0482 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1308-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1308-0482?
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What is the minimum amount of 1308-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1308-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1308-0482
  • 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 1308-0482 available by request