Y502-7003 Screening compound: methyl 13-[(Z)-1-(5-chloro-3-methyl-1-phenyl-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

Y502-7003 Screening compound: methyl 13-[(Z)-1-(5-chloro-3-methyl-1-phenyl-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
Y502-7003 Screening compound: methyl 13-[(Z)-1-(5-chloro-3-methyl-1-phenyl-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 Y502-7003
methyl 13-[(Z)-1-(5-chloro-3-methyl-1-phenyl-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

Y502-7003

Molecular Formula

C26H21ClN4O4S (C26 H21 ClN4 O4 S)

Compound Name

methyl 13-[(Z)-1-(5-chloro-3-methyl-1-phenyl-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

methyl (13Z)-13-[(5-chloro-3-methyl-1-phenyl-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

CC(C(C1N2C3=O)C(OC)=O)(N=C2S/C3=C\c(c(C)nn2-c3ccccc3)c2Cl)Oc2c1cccc2

InChI

InChI=1S/C26H21ClN4O4S/c1-14-17(22(27)31(29-14)15-9-5-4-6-10-15)13-19-23(32)30-21-16-11-7-8-12-18(16)35-26(2,28-25(30)36-19)20(21)24(33)34-3/h4-13,20-21H,1-3H3

InChI Key

UOKSJPPSPIZYBA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.65

Polar Surface Area

69.366

Acid Dissociation Constant (pKa)

21.36

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.08

Y502-7003 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 Y502-7003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-7003?
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What is the minimum amount of Y502-7003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-7003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-7003
  • 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 Y502-7003 available by request