Y600-0047 Screening compound: methyl 2-({[4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)-4,5-dimethoxybenzoate

Y600-0047 Screening compound: methyl 2-({[4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)-4,5-dimethoxybenzoate
Y600-0047 Screening compound: methyl 2-({[4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)-4,5-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-0047
methyl 2-({[4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)-4,5-dimethoxybenzoate

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

Y600-0047

Molecular Formula

C15H15N3O6S (C15 H15 N3 O6 S)

Compound Name

methyl 2-({[4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)-4,5-dimethoxybenzoate

IUPAC name

methyl 2-{[(46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene)methyl]amino}-45-dimethoxybenzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC=C(C(NC(N1)=S)=O)C1=O)=O

InChI

InChI=1S/C15H15N3O6S/c1-22-10-4-7(14(21)24-3)9(5-11(10)23-2)16-6-8-12(19)17-15(25)18-13(8)20/h4-6,16H,1-3H3,(H2,17,18,19,20,25)

InChI Key

OCURWWIGMPNJLH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.483

Distribution Coefficient, logD

-0.549

Water Solubility, LogSw

-2.43

Polar Surface Area

96.964

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y600-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-0047?
Check Price and Availability of Y600-0047, 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 Y600-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-0047
  • 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 Y600-0047 available by request