3014-4902 Screening compound: (4-methylphenyl)methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3014-4902 Screening compound: (4-methylphenyl)methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3014-4902 Screening compound: (4-methylphenyl)methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3014-4902
(4-methylphenyl)methyl 4-(2-chlorophenyl)-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

3014-4902

Molecular Formula

C20H19ClN2O3 (C20 H19 ClN2 O3)

Compound Name

(4-methylphenyl)methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

(4-methylphenyl)methyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

Cc1ccc(COC(C(C(c(cccc2)c2Cl)N2)=C(C)NC2=O)=O)cc1

InChI

InChI=1S/C20H19ClN2O3/c1-12-7-9-14(10-8-12)11-26-19(24)17-13(2)22-20(25)23-18(17)15-5-3-4-6-16(15)21/h3-10,18H,11H2,1-2H3,(H2,22,23,25)/t18-/m0/s1

InChI Key

VCNLGNPCAJJPKG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01192558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.655

Water Solubility, LogSw

-3.91

Polar Surface Area

56.549

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3014-4902 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3014-4902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3014-4902?
Check Price and Availability of 3014-4902, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3014-4902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3014-4902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3014-4902
  • 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 3014-4902 available by request