C073-3458 Screening compound: (1R,2S,5R,7S)-3-[2-(1-cyclohexenyl)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,5-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3458 Screening compound: (1R,2S,5R,7S)-3-[2-(1-cyclohexenyl)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,5-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3458 Screening compound: (1R,2S,5R,7S)-3-[2-(1-cyclohexenyl)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,5-dimethylphenyl)-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 C073-3458
(1R,2S,5R,7S)-3-[2-(1-cyclohexenyl)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,5-dimethylphenyl)-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

C073-3458

Molecular Formula

C34H45N3O4 (C34 H45 N3 O4)

Compound Name

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

IUPAC name

(5R7S)-3-[2-(cyclohex-1-en-1-yl)ethyl]-N2-(23-dimethylcyclohexyl)-N6-(35-dimethylphenyl)-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(C)cc(C)c4)=O)O[C@H]3C=C1)N(CCC1=CCCCC1)C2=O)=O

InChI

InChI=1S/C34H45N3O4/c1-20-17-21(2)19-25(18-20)35-31(38)28-27-13-15-34(41-27)29(28)33(40)37(16-14-24-10-6-5-7-11-24)30(34)32(39)36-26-12-8-9-22(3)23(26)4/h10,13,15,17-19,22-23,26-30H,5-9,11-12,14,16H2,1-4H3,(H,35,38)(H,36,39)/t22?,23?,26?,27-,28?,29-,30?,34-/m0/s1

InChI Key

AMFOEXPMCFSROE-XCZLMPHQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.75

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

5.253

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-5.01

Polar Surface Area

72.358

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

61.80

C073-3458 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with C073-3458 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-3458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3458
  • 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 C073-3458 available by request