Y010-0666 Screening compound: ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate

Y010-0666 Screening compound: ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate
Y010-0666 Screening compound: ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0666
ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-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

Y010-0666

Molecular Formula

C16H19N3O3S (C16 H19 N3 O3 S)

Compound Name

ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate

IUPAC name

ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate

SMILES

CCOC(c(cn1)c(NCc2cc(OC)ccc2)nc1SC)=O

InChI

InChI=1S/C16H19N3O3S/c1-4-22-15(20)13-10-18-16(23-3)19-14(13)17-9-11-6-5-7-12(8-11)21-2/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)

InChI Key

BDUOHOYRCYWPSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05156567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.64

Polar Surface Area

57.225

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with Y010-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0666?
Check Price and Availability of Y010-0666, 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 Y010-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0666
  • 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 Y010-0666 available by request