C269-0081 Screening compound: 10-benzyl-4-chloro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C269-0081 Screening compound: 10-benzyl-4-chloro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C269-0081 Screening compound: 10-benzyl-4-chloro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C269-0081
10-benzyl-4-chloro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-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

C269-0081

Molecular Formula

C18H17ClN2O2 (C18 H17 ClN2 O2)

Compound Name

10-benzyl-4-chloro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

n/a

SMILES

CC(CC1N2)(N(Cc3ccccc3)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C18H17ClN2O2/c1-18-10-15(14-9-13(19)7-8-16(14)23-18)20-17(22)21(18)11-12-5-3-2-4-6-12/h2-9,15H,10-11H2,1H3,(H,20,22)

InChI Key

RLTCGGPMJODAEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07650947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.76

Polar Surface Area

33.688

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

C269-0081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C269-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C269-0081?
Check Price and Availability of C269-0081, 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 C269-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C269-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C269-0081
  • 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 C269-0081 available by request