Y501-3896 Screening compound: 1,7-dicyclopropyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one

Y501-3896 Screening compound: 1,7-dicyclopropyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Y501-3896 Screening compound: 1,7-dicyclopropyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-3896
1,7-dicyclopropyl-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

Y501-3896

Molecular Formula

C14H12F3N3OS (C14 H12 F3 N3 OS)

Compound Name

1,7-dicyclopropyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one

IUPAC name

17-dicyclopropyl-2-sulfanyl-5-(trifluoromethyl)-1H4H-pyrido[23-d]pyrimidin-4-one

SMILES

O=C(c1c(N2C3CC3)nc(C3CC3)cc1C(F)(F)F)N=C2S

InChI

InChI=1S/C14H12F3N3OS/c15-14(16,17)8-5-9(6-1-2-6)18-11-10(8)12(21)19-13(22)20(11)7-3-4-7/h5-7H,1-4H2,(H,19,21,22)

InChI Key

DSWAGFUXKJPWSF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

0.468

Water Solubility, LogSw

-3.92

Polar Surface Area

34.989

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with Y501-3896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-3896?
Check Price and Availability of Y501-3896, 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 Y501-3896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-3896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-3896
  • 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 Y501-3896 available by request