8010-3892 Screening compound: 1-(hydroxymethyl)azepan-2-one

8010-3892 Screening compound: 1-(hydroxymethyl)azepan-2-one
8010-3892 Screening compound: 1-(hydroxymethyl)azepan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3892
1-(hydroxymethyl)azepan-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

8010-3892

Molecular Formula

C7H13NO2 (C7 H13 NO2)

Compound Name

1-(hydroxymethyl)azepan-2-one

IUPAC name

1-(hydroxymethyl)azepan-2-one

SMILES

OCN(CCCCC1)C1=O

InChI

InChI=1S/C7H13NO2/c9-6-8-5-3-1-2-4-7(8)10/h9H,1-6H2

InChI Key

QBUDWHWPQWURCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00625528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

143.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.144

Distribution Coefficient, logD

0.144

Water Solubility, LogSw

0.09

Polar Surface Area

33.761

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

85.70

8010-3892 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-3892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3892?
Check Price and Availability of 8010-3892, 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 8010-3892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3892
  • 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 8010-3892 available by request