Y508-4548 Screening compound: 16-acetyl-13-[(E)-1-(1-ethyl-1H-pyrazol-3-yl)methylidene]-9-methyl-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraen-14-one

Y508-4548 Screening compound: 16-acetyl-13-[(E)-1-(1-ethyl-1H-pyrazol-3-yl)methylidene]-9-methyl-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraen-14-one
Y508-4548 Screening compound: 16-acetyl-13-[(E)-1-(1-ethyl-1H-pyrazol-3-yl)methylidene]-9-methyl-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraen-14-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-4548
16-acetyl-13-[(E)-1-(1-ethyl-1H-pyrazol-3-yl)methylidene]-9-methyl-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraen-14-one

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

Y508-4548

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

16-acetyl-13-[(E)-1-(1-ethyl-1H-pyrazol-3-yl)methylidene]-9-methyl-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraen-14-one

IUPAC name

n/a

SMILES

CCn1nc(/C=C(\C(N2C3C4C(C)=O)=O)/SC2=NC4(C)Oc2c3cccc2)cc1

InChI

InChI=1S/C21H20N4O3S/c1-4-24-10-9-13(23-24)11-16-19(27)25-18-14-7-5-6-8-15(14)28-21(3,17(18)12(2)26)22-20(25)29-16/h5-11,17-18H,4H2,1-3H3

InChI Key

XCMWWRWNKMTSRB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.373

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-2.63

Polar Surface Area

62.100

Acid Dissociation Constant (pKa)

19.86

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y508-4548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-4548?
Check Price and Availability of Y508-4548, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y508-4548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-4548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-4548
  • 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 Y508-4548 available by request