Y501-4451 Screening compound: methyl 4-[2-bromo-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Y501-4451 Screening compound: methyl 4-[2-bromo-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Y501-4451 Screening compound: methyl 4-[2-bromo-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-4451
methyl 4-[2-bromo-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-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

Y501-4451

Molecular Formula

C19H23BrN2O7 (C19 H23 BrN2 O7)

Compound Name

methyl 4-[2-bromo-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

methyl 4-[2-bromo-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(COc1cc(Br)c(C(C(C(OC)=O)=C(C)N2)NC2=O)cc1OCC)=O

InChI

InChI=1S/C19H23BrN2O7/c1-5-27-13-7-11(12(20)8-14(13)29-9-15(23)28-6-2)17-16(18(24)26-4)10(3)21-19(25)22-17/h7-8,17H,5-6,9H2,1-4H3,(H2,21,22,25)/t17-/m0/s1

InChI Key

WYDIYCBZRATIDM-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.060

Distribution Coefficient, logD

0.952

Water Solubility, LogSw

-1.98

Polar Surface Area

91.820

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with Y501-4451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-4451?
Check Price and Availability of Y501-4451, 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 Y501-4451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-4451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-4451
  • 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 Y501-4451 available by request