Y501-0659 Screening compound: 1-ethyl-3-methyl-1H-pyrazol-4-yl {3-[7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidino} sulfone

Y501-0659 Screening compound: 1-ethyl-3-methyl-1H-pyrazol-4-yl {3-[7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidino} sulfone
Y501-0659 Screening compound: 1-ethyl-3-methyl-1H-pyrazol-4-yl {3-[7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidino} sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0659
1-ethyl-3-methyl-1H-pyrazol-4-yl {3-[7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidino} sulfone

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

Y501-0659

Molecular Formula

C23H23F3N8O2S2 (C23 H23 F3 N8 O2 S2)

Compound Name

1-ethyl-3-methyl-1H-pyrazol-4-yl {3-[7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidino} sulfone

IUPAC name

4-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl}-11-methyl-13-(trifluoromethyl)-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)24710(15)1113-heptaene

SMILES

CCn1nc(C)c(S(N(CCC2)CC2c2nn(cnc3c4sc5c3c(C)cc(C(F)(F)F)n5)c4n2)(=O)=O)c1

InChI

InChI=1S/C23H23F3N8O2S2/c1-4-32-10-15(13(3)30-32)38(35,36)33-7-5-6-14(9-33)20-29-21-19-18(27-11-34(21)31-20)17-12(2)8-16(23(24,25)26)28-22(17)37-19/h8,10-11,14H,4-7,9H2,1-3H3/t14-/m0/s1

InChI Key

GKOBUIAELGABPY-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-3.76

Polar Surface Area

86.720

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

Y501-0659 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y501-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0659?
Check Price and Availability of Y501-0659, 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 Y501-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0659
  • 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 Y501-0659 available by request