C073-2886 Screening compound: (1S,2R,5S,7R)-3-(tert-butyl)-N~6~-(3-chlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-2886 Screening compound: (1S,2R,5S,7R)-3-(tert-butyl)-N~6~-(3-chlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-2886 Screening compound: (1S,2R,5S,7R)-3-(tert-butyl)-N~6~-(3-chlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-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 C073-2886
(1S,2R,5S,7R)-3-(tert-butyl)-N~6~-(3-chlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-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

C073-2886

Molecular Formula

C28H36ClN3O4 (C28 H36 ClN3 O4)

Compound Name

(1S,2R,5S,7R)-3-(tert-butyl)-N~6~-(3-chlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5S7R)-3-tert-butyl-N6-(3-chlorophenyl)-N2-(23-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(CCC1)C(C)C1NC(C([C@]1([C@H]2C3C(Nc4cccc(Cl)c4)=O)O[C@H]3C=C1)N(C(C)(C)C)C2=O)=O

InChI

InChI=1S/C28H36ClN3O4/c1-15-8-6-11-19(16(15)2)31-25(34)23-28-13-12-20(36-28)21(22(28)26(35)32(23)27(3,4)5)24(33)30-18-10-7-9-17(29)14-18/h7,9-10,12-16,19-23H,6,8,11H2,1-5H3,(H,30,33)(H,31,34)/t15?,16?,19?,20-,21?,22-,23?,28-/m0/s1

InChI Key

NMGOTGVKBSCAQC-ZLKXGOEKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.085

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-4.42

Polar Surface Area

72.542

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

60.71

C073-2886 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C073-2886 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-2886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-2886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-2886
  • 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 C073-2886 available by request