8001-1291 Screening compound: 5,6,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one

8001-1291 Screening compound: 5,6,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one
8001-1291 Screening compound: 5,6,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1291
5,6,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-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

8001-1291

Molecular Formula

C6H7N3O2 (C6 H7 N3 O2)

Compound Name

5,6,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one

IUPAC name

4H5H6H7H8H-[125]oxadiazolo[34-c]azepin-4-one

SMILES

O=C1NCCCc2nonc12

InChI

InChI=1S/C6H7N3O2/c10-6-5-4(8-11-9-5)2-1-3-7-6/h1-3H2,(H,7,10)

InChI Key

HLLCOQBFTOLPAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00168477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

153.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.491

Distribution Coefficient, logD

0.491

Water Solubility, LogSw

-0.44

Polar Surface Area

63.550

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8001-1291 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8001-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1291?
Check Price and Availability of 8001-1291, 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 8001-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1291
  • 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 8001-1291 available by request