8013-9160 Screening compound: N'~1~-(3-acetyl-6-methyl-4-oxo-4H-pyran-2-yl)-2-phenoxyacetohydrazide

8013-9160 Screening compound: N'~1~-(3-acetyl-6-methyl-4-oxo-4H-pyran-2-yl)-2-phenoxyacetohydrazide
8013-9160 Screening compound: N'~1~-(3-acetyl-6-methyl-4-oxo-4H-pyran-2-yl)-2-phenoxyacetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9160
N'~1~-(3-acetyl-6-methyl-4-oxo-4H-pyran-2-yl)-2-phenoxyacetohydrazide

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

8013-9160

Molecular Formula

C16H16N2O5 (C16 H16 N2 O5)

Compound Name

N'~1~-(3-acetyl-6-methyl-4-oxo-4H-pyran-2-yl)-2-phenoxyacetohydrazide

IUPAC name

N'-(3-acetyl-6-methyl-4-oxo-4H-pyran-2-yl)-2-phenoxyacetohydrazide

SMILES

CC(C1=C(NNC(COc2ccccc2)=O)OC(C)=CC1=O)=O

InChI

InChI=1S/C16H16N2O5/c1-10-8-13(20)15(11(2)19)16(23-10)18-17-14(21)9-22-12-6-4-3-5-7-12/h3-8,18H,9H2,1-2H3,(H,17,21)

InChI Key

DKSJCXQPEQYQPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03460803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.705

Distribution Coefficient, logD

-0.433

Water Solubility, LogSw

-1.63

Polar Surface Area

80.640

Acid Dissociation Constant (pKa)

6.29

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with 8013-9160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-9160?
Check Price and Availability of 8013-9160, 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 8013-9160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9160
  • 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 8013-9160 available by request