C917-0349 Screening compound: 12-[(4-bromophenyl)sulfonyl]-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C917-0349 Screening compound: 12-[(4-bromophenyl)sulfonyl]-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C917-0349 Screening compound: 12-[(4-bromophenyl)sulfonyl]-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C917-0349
12-[(4-bromophenyl)sulfonyl]-6-methoxy-9-methyl-8-oxa-10-azatricyclo[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

C917-0349

Molecular Formula

C19H18BrNO5S (C19 H18 BrNO5 S)

Compound Name

12-[(4-bromophenyl)sulfonyl]-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

12-(4-bromobenzenesulfonyl)-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1C2S(c(cc3)ccc3Br)(=O)=O)(NC2=O)Oc2c1cccc2OC

InChI

InChI=1S/C19H18BrNO5S/c1-19-10-14(13-4-3-5-15(25-2)16(13)26-19)17(18(22)21-19)27(23,24)12-8-6-11(20)7-9-12/h3-9,14,17H,10H2,1-2H3,(H,21,22)

InChI Key

QNXDJEHUOSULOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.71

Polar Surface Area

69.341

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.60

C917-0349 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 C917-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C917-0349?
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What is the minimum amount of C917-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C917-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C917-0349
  • 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 C917-0349 available by request