Y500-9463 Screening compound: 2-{5-[(2-benzylphenoxy)methyl]-2-furyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

Y500-9463 Screening compound: 2-{5-[(2-benzylphenoxy)methyl]-2-furyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Y500-9463 Screening compound: 2-{5-[(2-benzylphenoxy)methyl]-2-furyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-9463
2-{5-[(2-benzylphenoxy)methyl]-2-furyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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

Y500-9463

Molecular Formula

C30H23N5O2S (C30 H23 N5 O2 S)

Compound Name

2-{5-[(2-benzylphenoxy)methyl]-2-furyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

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

SMILES

Cc1c(c(ncn2nc(-c3ccc(COc4c(Cc5ccccc5)cccc4)o3)nc22)c2s2)c2nc(C)c1

InChI

InChI=1S/C30H23N5O2S/c1-18-14-19(2)32-30-25(18)26-27(38-30)29-33-28(34-35(29)17-31-26)24-13-12-22(37-24)16-36-23-11-7-6-10-21(23)15-20-8-4-3-5-9-20/h3-14,17H,15-16H2,1-2H3

InChI Key

WQGLNUXNIVKYRO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.969

Distribution Coefficient, logD

6.823

Water Solubility, LogSw

-6.12

Polar Surface Area

54.911

Acid Dissociation Constant (pKa)

26.93

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y500-9463 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 Y500-9463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-9463?
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What is the minimum amount of Y500-9463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-9463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-9463
  • 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 Y500-9463 available by request