C073-3333 Screening compound: (1R,2S,5R,7S)-N~6~-(3-chloro-4-methylphenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(3-morpholinopropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3333 Screening compound: (1R,2S,5R,7S)-N~6~-(3-chloro-4-methylphenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(3-morpholinopropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3333 Screening compound: (1R,2S,5R,7S)-N~6~-(3-chloro-4-methylphenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(3-morpholinopropyl)-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 C073-3333
(1R,2S,5R,7S)-N~6~-(3-chloro-4-methylphenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(3-morpholinopropyl)-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

C073-3333

Molecular Formula

C32H43ClN4O5 (C32 H43 ClN4 O5)

Compound Name

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

IUPAC name

(5R7S)-N6-(3-chloro-4-methylphenyl)-N2-(23-dimethylcyclohexyl)-3-[3-(morpholin-4-yl)propyl]-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(Nc4cc(Cl)c(C)cc4)=O)O[C@H]3C=C1)N(CCCN1CCOCC1)C2=O)=O

InChI

InChI=1S/C32H43ClN4O5/c1-19-6-4-7-24(21(19)3)35-30(39)28-32-11-10-25(42-32)26(29(38)34-22-9-8-20(2)23(33)18-22)27(32)31(40)37(28)13-5-12-36-14-16-41-17-15-36/h8-11,18-19,21,24-28H,4-7,12-17H2,1-3H3,(H,34,38)(H,35,39)/t19?,21?,24?,25-,26?,27-,28?,32-/m0/s1

InChI Key

QQUUFEFCHOAQKI-XXCXAZDDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

599.17

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.83

Polar Surface Area

84.056

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

65.60

C073-3333 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C073-3333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3333?
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What is the minimum amount of C073-3333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3333
  • 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 C073-3333 available by request