Y502-4665 Screening compound: 13-[(Z)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-N~16~-(2-methylphenyl)-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxamide

Y502-4665 Screening compound: 13-[(Z)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-N~16~-(2-methylphenyl)-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxamide
Y502-4665 Screening compound: 13-[(Z)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-N~16~-(2-methylphenyl)-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-4665
13-[(Z)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-N~16~-(2-methylphenyl)-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxamide

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

Y502-4665

Molecular Formula

C27H25N5O3S (C27 H25 N5 O3 S)

Compound Name

13-[(Z)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-N~16~-(2-methylphenyl)-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxamide

IUPAC name

(13Z)-13-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-N-(2-methylphenyl)-14-oxo-8-oxa-12-thia-1015-diazatetracyclo[7.6.1.0^{27}.0^{1115}]hexadeca-24610-tetraene-16-carboxamide

SMILES

CCn1ncc(/C=C(/C(N2C3C4C(Nc5c(C)cccc5)=O)=O)\SC2=NC4(C)Oc2c3cccc2)c1

InChI

InChI=1S/C27H25N5O3S/c1-4-31-15-17(14-28-31)13-21-25(34)32-23-18-10-6-8-12-20(18)35-27(3,30-26(32)36-21)22(23)24(33)29-19-11-7-5-9-16(19)2/h5-15,22-23H,4H2,1-3H3,(H,29,33)

InChI Key

IWRKXQLLBURSTF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.508

Water Solubility, LogSw

-3.69

Polar Surface Area

70.288

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.93

Y502-4665 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 Y502-4665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-4665?
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What is the minimum amount of Y502-4665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-4665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-4665
  • 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 Y502-4665 available by request