1921-2264 Screening compound: methyl 6-methyl-2-oxo-4-phenyl-3-propanoyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1921-2264 Screening compound: methyl 6-methyl-2-oxo-4-phenyl-3-propanoyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1921-2264 Screening compound: methyl 6-methyl-2-oxo-4-phenyl-3-propanoyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1921-2264
methyl 6-methyl-2-oxo-4-phenyl-3-propanoyl-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

1921-2264

Molecular Formula

C16H18N2O4 (C16 H18 N2 O4)

Compound Name

methyl 6-methyl-2-oxo-4-phenyl-3-propanoyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 6-methyl-2-oxo-4-phenyl-3-propanoyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCC(N(C(c1ccccc1)C(C(OC)=O)=C(C)N1)C1=O)=O

InChI

InChI=1S/C16H18N2O4/c1-4-12(19)18-14(11-8-6-5-7-9-11)13(15(20)22-3)10(2)17-16(18)21/h5-9,14H,4H2,1-3H3,(H,17,21)/t14-/m0/s1

InChI Key

TUEKTYXTFDLNCF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00787781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.134

Distribution Coefficient, logD

-0.840

Water Solubility, LogSw

-2.71

Polar Surface Area

60.160

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-6.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

1921-2264 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 1921-2264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1921-2264?
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What is the minimum amount of 1921-2264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1921-2264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1921-2264
  • 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 1921-2264 available by request