C073-4576 Screening compound: (1S,2R,5S,7R)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-(3-isopropoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4576 Screening compound: (1S,2R,5S,7R)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-(3-isopropoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4576 Screening compound: (1S,2R,5S,7R)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-(3-isopropoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C073-4576
(1S,2R,5S,7R)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-(3-isopropoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

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

C073-4576

Molecular Formula

C28H36BrN3O5 (C28 H36 BrN3 O5)

Compound Name

(1S,2R,5S,7R)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-(3-isopropoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5S7R)-N6-(4-bromophenyl)-N2-cyclohexyl-4-oxo-3-[3-(propan-2-yloxy)propyl]-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(C)OCCCN(C([C@]1([C@H]2C3C(Nc(cc4)ccc4Br)=O)O[C@H]3C=C1)C(NC1CCCCC1)=O)C2=O

InChI

InChI=1S/C28H36BrN3O5/c1-17(2)36-16-6-15-32-24(26(34)31-19-7-4-3-5-8-19)28-14-13-21(37-28)22(23(28)27(32)35)25(33)30-20-11-9-18(29)10-12-20/h9-14,17,19,21-24H,3-8,15-16H2,1-2H3,(H,30,33)(H,31,34)/t21-,22?,23-,24?,28-/m0/s1

InChI Key

OVOJYCBDIWOJDR-NWRHHELPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-4.06

Polar Surface Area

79.248

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

60.70

C073-4576 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C073-4576 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4576
  • 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 C073-4576 available by request