C073-3518 Screening compound: (1R,2S,5R,7S)-3-{2-[butyl(methyl)amino]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

C073-3518 Screening compound: (1R,2S,5R,7S)-3-{2-[butyl(methyl)amino]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
C073-3518 Screening compound: (1R,2S,5R,7S)-3-{2-[butyl(methyl)amino]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 C073-3518
(1R,2S,5R,7S)-3-{2-[butyl(methyl)amino]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

C073-3518

Molecular Formula

C33H48N4O4 (C33 H48 N4 O4)

Compound Name

(1R,2S,5R,7S)-3-{2-[butyl(methyl)amino]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-[butyl(methyl)amino]ethyl}-N2-(23-dimethylcyclohexyl)-N6-(35-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCCCN(C)CCN(C([C@]1([C@H]2C3C(Nc4cc(C)cc(C)c4)=O)O[C@H]3C=C1)C(NC1C(C)C(C)CCC1)=O)C2=O

InChI

InChI=1S/C33H48N4O4/c1-7-8-14-36(6)15-16-37-29(31(39)35-25-11-9-10-22(4)23(25)5)33-13-12-26(41-33)27(28(33)32(37)40)30(38)34-24-18-20(2)17-21(3)19-24/h12-13,17-19,22-23,25-29H,7-11,14-16H2,1-6H3,(H,34,38)(H,35,39)/t22?,23?,25?,26-,27?,28-,29?,33-/m0/s1

InChI Key

ZVXBJWPKJLVCMF-OPHHYDNQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-4.15

Polar Surface Area

76.509

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

8.66

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

66.70

C073-3518 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 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
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with C073-3518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3518?
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What is the minimum amount of C073-3518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3518
  • 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 C073-3518 available by request