C269-0526 Screening compound: 4-bromo-10-(4-bromophenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C269-0526 Screening compound: 4-bromo-10-(4-bromophenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C269-0526 Screening compound: 4-bromo-10-(4-bromophenyl)-6-methoxy-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 C269-0526
4-bromo-10-(4-bromophenyl)-6-methoxy-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

C269-0526

Molecular Formula

C18H16Br2N2O3 (C18 H16 Br2 N2 O3)

Compound Name

4-bromo-10-(4-bromophenyl)-6-methoxy-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-(4-bromophenyl)-6-methoxy-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC(c1cc(Br)c2)N3)(N(c(cc4)ccc4Br)C3=O)Oc1c2OC

InChI

InChI=1S/C18H16Br2N2O3/c1-18-9-14(13-7-11(20)8-15(24-2)16(13)25-18)21-17(23)22(18)12-5-3-10(19)4-6-12/h3-8,14H,9H2,1-2H3,(H,21,23)

InChI Key

CIRJGZZOMXFOPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.14

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.098

Water Solubility, LogSw

-4.96

Polar Surface Area

40.391

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

C269-0526 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C269-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C269-0526?
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What is the minimum amount of C269-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C269-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C269-0526
  • 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 C269-0526 available by request