C073-4005 Screening compound: (1R,2S,5R,7S)-3-butyl-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4005 Screening compound: (1R,2S,5R,7S)-3-butyl-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4005 Screening compound: (1R,2S,5R,7S)-3-butyl-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-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 C073-4005
(1R,2S,5R,7S)-3-butyl-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-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

C073-4005

Molecular Formula

C26H31Cl2N3O4 (C26 H31 Cl2 N3 O4)

Compound Name

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

IUPAC name

(5R7S)-3-butyl-N2-cyclohexyl-N6-(34-dichlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCCCN(C([C@]1([C@H]2C3C(Nc(cc4)cc(Cl)c4Cl)=O)O[C@H]3C=C1)C(NC1CCCCC1)=O)C2=O

InChI

InChI=1S/C26H31Cl2N3O4/c1-2-3-13-31-22(24(33)29-15-7-5-4-6-8-15)26-12-11-19(35-26)20(21(26)25(31)34)23(32)30-16-9-10-17(27)18(28)14-16/h9-12,14-15,19-22H,2-8,13H2,1H3,(H,29,33)(H,30,32)/t19-,20?,21-,22?,26-/m0/s1

InChI Key

LWMRGDBMXQVRTA-MLAQOFQXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-5.68

Polar Surface Area

72.047

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

57.70

C073-4005 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 C073-4005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-4005?
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What is the minimum amount of C073-4005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4005
  • 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 C073-4005 available by request