Y503-3294 Screening compound: ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridyl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Y503-3294 Screening compound: ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridyl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Y503-3294 Screening compound: ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridyl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-3294
ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridyl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

Y503-3294

Molecular Formula

C24H23F3N4O3S (C24 H23 F3 N4 O3 S)

Compound Name

ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridyl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CSc1nc(C(F)(F)F)cc(C)c1C#N)=C(C(c1ccccc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C24H23F3N4O3S/c1-4-31-17(13-35-21-16(12-28)14(3)11-18(29-21)24(25,26)27)19(22(32)34-5-2)20(30-23(31)33)15-9-7-6-8-10-15/h6-11,20H,4-5,13H2,1-3H3,(H,30,33)/t20-/m1/s1

InChI Key

KNWQTNTZOBDPBL-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.082

Distribution Coefficient, logD

5.080

Water Solubility, LogSw

-4.92

Polar Surface Area

74.281

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y503-3294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-3294?
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What is the minimum amount of Y503-3294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-3294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-3294
  • 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 Y503-3294 available by request