8016-8267 Screening compound: 4-{[1-(hydroxymethyl)propyl]amino}-6-methyl-3-propionyl-2H-pyran-2-one

8016-8267 Screening compound: 4-{[1-(hydroxymethyl)propyl]amino}-6-methyl-3-propionyl-2H-pyran-2-one
8016-8267 Screening compound: 4-{[1-(hydroxymethyl)propyl]amino}-6-methyl-3-propionyl-2H-pyran-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8267
4-{[1-(hydroxymethyl)propyl]amino}-6-methyl-3-propionyl-2H-pyran-2-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

8016-8267

Molecular Formula

C13H19NO4 (C13 H19 NO4)

Compound Name

4-{[1-(hydroxymethyl)propyl]amino}-6-methyl-3-propionyl-2H-pyran-2-one

IUPAC name

4-[(1-hydroxybutan-2-yl)amino]-6-methyl-3-propanoyl-2H-pyran-2-one

SMILES

CCC(CO)NC(C=C(C)O1)=C(C(CC)=O)C1=O

InChI

InChI=1S/C13H19NO4/c1-4-9(7-15)14-10-6-8(3)18-13(17)12(10)11(16)5-2/h6,9,14-15H,4-5,7H2,1-3H3/t9-/m0/s1

InChI Key

VMYRSGGUWPPCKY-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05859516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-1.30

Polar Surface Area

63.551

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

8016-8267 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-8267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8267?
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What is the minimum amount of 8016-8267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8267
  • 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 8016-8267 available by request