Y504-6968 Screening compound: methyl 1-(2-methoxyphenyl)-4-oxo-2-sulfanyl-7-(2-thienyl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate

Y504-6968 Screening compound: methyl 1-(2-methoxyphenyl)-4-oxo-2-sulfanyl-7-(2-thienyl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Y504-6968 Screening compound: methyl 1-(2-methoxyphenyl)-4-oxo-2-sulfanyl-7-(2-thienyl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-6968
methyl 1-(2-methoxyphenyl)-4-oxo-2-sulfanyl-7-(2-thienyl)-1,4-dihydropyrido[2,3-d]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

Y504-6968

Molecular Formula

C20H15N3O4S2 (C20 H15 N3 O4 S2)

Compound Name

methyl 1-(2-methoxyphenyl)-4-oxo-2-sulfanyl-7-(2-thienyl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

methyl 1-(2-methoxyphenyl)-4-oxo-2-sulfanyl-7-(thiophen-2-yl)-1H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

COC(c1cc(-c2cccs2)nc(N(c(cccc2)c2OC)C(S)=N2)c1C2=O)=O

InChI

InChI=1S/C20H15N3O4S2/c1-26-14-7-4-3-6-13(14)23-17-16(18(24)22-20(23)28)11(19(25)27-2)10-12(21-17)15-8-5-9-29-15/h3-10H,1-2H3,(H,22,24,28)

InChI Key

ZQRLMWSXKGLDSZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

-1.085

Water Solubility, LogSw

-4.16

Polar Surface Area

63.824

Acid Dissociation Constant (pKa)

2.43

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

Y504-6968 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y504-6968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-6968?
Check Price and Availability of Y504-6968, 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 Y504-6968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-6968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-6968
  • 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 Y504-6968 available by request