Y503-4716 Screening compound: {5-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-furyl}methyl (4-fluorophenyl) ether

Y503-4716 Screening compound: {5-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-furyl}methyl (4-fluorophenyl) ether
Y503-4716 Screening compound: {5-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-furyl}methyl (4-fluorophenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4716
{5-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-furyl}methyl (4-fluorophenyl) ether

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

Y503-4716

Molecular Formula

C23H14F3N5O2S (C23 H14 F3 N5 O2 S)

Compound Name

{5-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-furyl}methyl (4-fluorophenyl) ether

IUPAC name

13-(difluoromethyl)-4-{5-[(4-fluorophenoxy)methyl]furan-2-yl}-11-methyl-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)24710(15)1113-heptaene

SMILES

Cc1c(c(ncn2nc(-c3ccc(COc(cc4)ccc4F)o3)nc22)c2s2)c2nc(C(F)F)c1

InChI

InChI=1S/C23H14F3N5O2S/c1-11-8-15(20(25)26)28-23-17(11)18-19(34-23)22-29-21(30-31(22)10-27-18)16-7-6-14(33-16)9-32-13-4-2-12(24)3-5-13/h2-8,10,20H,9H2,1H3

InChI Key

XJSWLZSAKQCVMG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.378

Distribution Coefficient, logD

5.374

Water Solubility, LogSw

-5.71

Polar Surface Area

55.289

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

Y503-4716 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y503-4716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4716?
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What is the minimum amount of Y503-4716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4716
  • 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 Y503-4716 available by request