Y504-6659 Screening compound: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-ethoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one

Y504-6659 Screening compound: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-ethoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Y504-6659 Screening compound: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-ethoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-6659
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-ethoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[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

Y504-6659

Molecular Formula

C24H18F3N3O4S (C24 H18 F3 N3 O4 S)

Compound Name

7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-ethoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one

IUPAC name

7-(23-dihydro-14-benzodioxin-6-yl)-1-(2-ethoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)-1H4H-pyrido[23-d]pyrimidin-4-one

SMILES

CCOc(cccc1)c1N(c1c2c(C(F)(F)F)cc(-c(cc3)cc4c3OCCO4)n1)C(S)=NC2=O

InChI

InChI=1S/C24H18F3N3O4S/c1-2-32-17-6-4-3-5-16(17)30-21-20(22(31)29-23(30)35)14(24(25,26)27)12-15(28-21)13-7-8-18-19(11-13)34-10-9-33-18/h3-8,11-12H,2,9-10H2,1H3,(H,29,31,35)

InChI Key

MUWJZQJHDVSLFL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

-0.454

Water Solubility, LogSw

-4.51

Polar Surface Area

57.035

Acid Dissociation Constant (pKa)

2.44

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

Y504-6659 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 Y504-6659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-6659?
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What is the minimum amount of Y504-6659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-6659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-6659
  • 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 Y504-6659 available by request