Y504-7673 Screening compound: 7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(3-methoxypropyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one

Y504-7673 Screening compound: 7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(3-methoxypropyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Y504-7673 Screening compound: 7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(3-methoxypropyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-7673
7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(3-methoxypropyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one

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

Y504-7673

Molecular Formula

C19H17F2N3O4S (C19 H17 F2 N3 O4 S)

Compound Name

7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(3-methoxypropyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one

IUPAC name

7-(2H-13-benzodioxol-5-yl)-5-(difluoromethyl)-1-(3-methoxypropyl)-2-sulfanyl-1H4H-pyrido[23-d]pyrimidin-4-one

SMILES

COCCCN(c1c2c(C(F)F)cc(-c(cc3)cc4c3OCO4)n1)C(S)=NC2=O

InChI

InChI=1S/C19H17F2N3O4S/c1-26-6-2-5-24-17-15(18(25)23-19(24)29)11(16(20)21)8-12(22-17)10-3-4-13-14(7-10)28-9-27-13/h3-4,7-8,16H,2,5-6,9H2,1H3,(H,23,25,29)

InChI Key

PRJNGUFITYLBAW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.397

Distribution Coefficient, logD

-0.125

Water Solubility, LogSw

-3.74

Polar Surface Area

60.622

Acid Dissociation Constant (pKa)

3.88

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

Y504-7673 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 Y504-7673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-7673?
Check Price and Availability of Y504-7673, 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 Y504-7673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-7673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-7673
  • 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 Y504-7673 available by request