6160-0002 Screening compound: 10-(hydroxymethyl)-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.0~2,7~]dodeca-3,6-dien-5-one

6160-0002 Screening compound: 10-(hydroxymethyl)-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.0~2,7~]dodeca-3,6-dien-5-one
6160-0002 Screening compound: 10-(hydroxymethyl)-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.0~2,7~]dodeca-3,6-dien-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6160-0002
10-(hydroxymethyl)-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.0~2,7~]dodeca-3,6-dien-5-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

6160-0002

Molecular Formula

C10H12N2O4 (C10 H12 N2 O4)

Compound Name

10-(hydroxymethyl)-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.0~2,7~]dodeca-3,6-dien-5-one

IUPAC name

10-(hydroxymethyl)-4-methyl-811-dioxa-26-diazatricyclo[7.2.1.0^{27}]dodeca-36-dien-5-one

SMILES

CC1=CN(C(C2)OC(CO)C2O2)C2=NC1=O

InChI

InChI=1S/C10H12N2O4/c1-5-3-12-8-2-6(7(4-13)15-8)16-10(12)11-9(5)14/h3,6-8,13H,2,4H2,1H3

InChI Key

JCSNHEYOIASGKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.407

Distribution Coefficient, logD

-0.407

Water Solubility, LogSw

-0.24

Polar Surface Area

59.097

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.00

6160-0002 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Nucleoside Mimetics Library (2197 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Structure:
  • Pool
  • Fragments
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6160-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6160-0002?
Check Price and Availability of 6160-0002, 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 6160-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6160-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6160-0002
  • 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 6160-0002 available by request