C269-0085 Screening compound: 4-bromo-10-(3-bromophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C269-0085 Screening compound: 4-bromo-10-(3-bromophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C269-0085 Screening compound: 4-bromo-10-(3-bromophenyl)-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 C269-0085
4-bromo-10-(3-bromophenyl)-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

C269-0085

Molecular Formula

C17H14Br2N2O2 (C17 H14 Br2 N2 O2)

Compound Name

4-bromo-10-(3-bromophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

4-bromo-10-(3-bromophenyl)-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c3cc(Br)ccc3)C2=O)Oc(cc2)c1cc2Br

InChI

InChI=1S/C17H14Br2N2O2/c1-17-9-14(13-8-11(19)5-6-15(13)23-17)20-16(22)21(17)12-4-2-3-10(18)7-12/h2-8,14H,9H2,1H3,(H,20,22)

InChI Key

OHBGIGAHOGAWCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.12

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.959

Distribution Coefficient, logD

4.959

Water Solubility, LogSw

-4.79

Polar Surface Area

33.077

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

C269-0085 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C269-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C269-0085?
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What is the minimum amount of C269-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C269-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C269-0085
  • 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 C269-0085 available by request