Y502-4629 Screening compound: 16-acetyl-9-methyl-13-[(Z)-1-(1H-pyrrol-2-yl)methylidene]-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraen-14-one

Y502-4629 Screening compound: 16-acetyl-9-methyl-13-[(Z)-1-(1H-pyrrol-2-yl)methylidene]-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraen-14-one
Y502-4629 Screening compound: 16-acetyl-9-methyl-13-[(Z)-1-(1H-pyrrol-2-yl)methylidene]-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 Y502-4629
16-acetyl-9-methyl-13-[(Z)-1-(1H-pyrrol-2-yl)methylidene]-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

Y502-4629

Molecular Formula

C20H17N3O3S (C20 H17 N3 O3 S)

Compound Name

16-acetyl-9-methyl-13-[(Z)-1-(1H-pyrrol-2-yl)methylidene]-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

(13Z)-16-acetyl-9-methyl-13-[(1H-pyrrol-2-yl)methylidene]-8-oxa-12-thia-1015-diazatetracyclo[7.6.1.0^{27}.0^{1115}]hexadeca-24610-tetraen-14-one

SMILES

CC(C(C1N2C3=O)C(C)=O)(N=C2S/C3=C\c2ccc[nH]2)Oc2c1cccc2

InChI

InChI=1S/C20H17N3O3S/c1-11(24)16-17-13-7-3-4-8-14(13)26-20(16,2)22-19-23(17)18(25)15(27-19)10-12-6-5-9-21-12/h3-10,16-17,21H,1-2H3

InChI Key

BUCVJOFDPUWIQE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.029

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-3.48

Polar Surface Area

57.781

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.00

Y502-4629 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 Y502-4629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-4629?
Check Price and Availability of Y502-4629, 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 Y502-4629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-4629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-4629
  • 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 Y502-4629 available by request