Y500-9456 Screening compound: 4-[7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidino (3-nitrophenyl) sulfone

Y500-9456 Screening compound: 4-[7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidino (3-nitrophenyl) sulfone
Y500-9456 Screening compound: 4-[7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidino (3-nitrophenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-9456
4-[7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidino (3-nitrophenyl) 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

Y500-9456

Molecular Formula

C23H18F3N7O4S2 (C23 H18 F3 N7 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C(F)(F)F)nc2c1c(ncn1nc(C(CC3)CCN3S(c3cc([N+]([O-])=O)ccc3)(=O)=O)nc11)c1s2

InChI

InChI=1S/C23H18F3N7O4S2/c1-12-9-16(23(24,25)26)28-22-17(12)18-19(38-22)21-29-20(30-32(21)11-27-18)13-5-7-31(8-6-13)39(36,37)15-4-2-3-14(10-15)33(34)35/h2-4,9-11,13H,5-8H2,1H3

InChI Key

DLGPFHNLBLPSHE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.88

Polar Surface Area

105.313

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

Y500-9456 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 Y500-9456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-9456?
Check Price and Availability of Y500-9456, 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 Y500-9456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-9456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-9456
  • 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 Y500-9456 available by request