Y501-9799 Screening compound: ethyl 13-[(E)-1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-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-carboxylate

Y501-9799 Screening compound: ethyl 13-[(E)-1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-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-carboxylate
Y501-9799 Screening compound: ethyl 13-[(E)-1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-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-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9799
ethyl 13-[(E)-1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-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-carboxylate

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

Y501-9799

Molecular Formula

C24H26N4O4S (C24 H26 N4 O4 S)

Compound Name

ethyl 13-[(E)-1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-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-carboxylate

IUPAC name

ethyl (13E)-13-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methylidene]-9-methyl-14-oxo-8-oxa-12-thia-1015-diazatetracyclo[7.6.1.0^{27}.0^{1115}]hexadeca-24610-tetraene-16-carboxylate

SMILES

CCn1nc(C)c(/C=C(\C(N2C3C4C(OCC)=O)=O)/SC2=NC4(C)Oc2c3cccc2)c1C

InChI

InChI=1S/C24H26N4O4S/c1-6-27-14(4)16(13(3)26-27)12-18-21(29)28-20-15-10-8-9-11-17(15)32-24(5,25-23(28)33-18)19(20)22(30)31-7-2/h8-12,19-20H,6-7H2,1-5H3

InChI Key

RWVCRHKASXVSNZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.160

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-3.41

Polar Surface Area

68.424

Acid Dissociation Constant (pKa)

21.94

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.67

Y501-9799 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 Y501-9799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9799?
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What is the minimum amount of Y501-9799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9799
  • 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 Y501-9799 available by request