1630-0682 Screening compound: 2-phenylethyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1630-0682 Screening compound: 2-phenylethyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1630-0682 Screening compound: 2-phenylethyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0682
2-phenylethyl 4-(4-methoxyphenyl)-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

1630-0682

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1c(cc2)ccc2OC)=O)=C1C(OCCc1ccccc1)=O

InChI

InChI=1S/C21H22N2O4/c1-14-18(20(24)27-13-12-15-6-4-3-5-7-15)19(23-21(25)22-14)16-8-10-17(26-2)11-9-16/h3-11,19H,12-13H2,1-2H3,(H2,22,23,25)/t19-/m1/s1

InChI Key

XKLDTARQLBQCAS-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00355906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

2.885

Water Solubility, LogSw

-3.35

Polar Surface Area

64.012

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

1630-0682 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

BRD4 Targeted Library (4534 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0682?
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What is the minimum amount of 1630-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0682
  • 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 1630-0682 available by request