4236-2955 Screening compound: ETHYL 6-METHYL-2-OXO-4-(3-PHENOXYPHENYL)-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

4236-2955 Screening compound: ETHYL 6-METHYL-2-OXO-4-(3-PHENOXYPHENYL)-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
4236-2955 Screening compound: ETHYL 6-METHYL-2-OXO-4-(3-PHENOXYPHENYL)-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-2955
ETHYL 6-METHYL-2-OXO-4-(3-PHENOXYPHENYL)-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

4236-2955

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

ETHYL 6-METHYL-2-OXO-4-(3-PHENOXYPHENYL)-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(C(C(c1cc(Oc2ccccc2)ccc1)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C20H20N2O4/c1-3-25-19(23)17-13(2)21-20(24)22-18(17)14-8-7-11-16(12-14)26-15-9-5-4-6-10-15/h4-12,18H,3H2,1-2H3,(H2,21,22,24)/t18-/m1/s1

InChI Key

SNLWXGOTOPMEIA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00640433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.136

Water Solubility, LogSw

-3.58

Polar Surface Area

63.193

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.00

4236-2955 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4236-2955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-2955?
Check Price and Availability of 4236-2955, 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 4236-2955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-2955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-2955
  • 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 4236-2955 available by request