Y510-4963 Screening compound: methyl 6-methyl-4-{2-[2-oxo-2-(2-toluidino)ethoxy]phenyl}-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Y510-4963 Screening compound: methyl 6-methyl-4-{2-[2-oxo-2-(2-toluidino)ethoxy]phenyl}-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Y510-4963 Screening compound: methyl 6-methyl-4-{2-[2-oxo-2-(2-toluidino)ethoxy]phenyl}-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y510-4963
methyl 6-methyl-4-{2-[2-oxo-2-(2-toluidino)ethoxy]phenyl}-2-thioxo-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

Y510-4963

Molecular Formula

C22H23N3O4S (C22 H23 N3 O4 S)

Compound Name

methyl 6-methyl-4-{2-[2-oxo-2-(2-toluidino)ethoxy]phenyl}-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

n/a

SMILES

Cc(cccc1)c1NC(COc1c(C(C(C(OC)=O)=C(C)N2)NC2=S)cccc1)=O

InChI

InChI=1S/C22H23N3O4S/c1-13-8-4-6-10-16(13)24-18(26)12-29-17-11-7-5-9-15(17)20-19(21(27)28-3)14(2)23-22(30)25-20/h4-11,20H,12H2,1-3H3,(H,24,26)(H2,23,25,30)/t20-/m1/s1

InChI Key

KATPDVDZEZMYHX-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.33

Polar Surface Area

73.614

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with Y510-4963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y510-4963?
Check Price and Availability of Y510-4963, 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 Y510-4963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y510-4963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y510-4963
  • 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 Y510-4963 available by request