C073-3873 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-3-[2-(dipropylamino)ethyl]-N~6~-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3873 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-3-[2-(dipropylamino)ethyl]-N~6~-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3873 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-3-[2-(dipropylamino)ethyl]-N~6~-(3-methylphenyl)-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 C073-3873
(1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-3-[2-(dipropylamino)ethyl]-N~6~-(3-methylphenyl)-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

C073-3873

Molecular Formula

C33H48N4O4 (C33 H48 N4 O4)

Compound Name

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

IUPAC name

(5R7S)-N2-(23-dimethylcyclohexyl)-3-[2-(dipropylamino)ethyl]-N6-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCCN(CCC)CCN(C([C@]1([C@H]2C3C(Nc4cc(C)ccc4)=O)O[C@H]3C=C1)C(NC1C(C)C(C)CCC1)=O)C2=O

InChI

InChI=1S/C33H48N4O4/c1-6-16-36(17-7-2)18-19-37-29(31(39)35-25-13-9-11-22(4)23(25)5)33-15-14-26(41-33)27(28(33)32(37)40)30(38)34-24-12-8-10-21(3)20-24/h8,10,12,14-15,20,22-23,25-29H,6-7,9,11,13,16-19H2,1-5H3,(H,34,38)(H,35,39)/t22?,23?,25?,26-,27?,28-,29?,33-/m0/s1

InChI Key

PUXKZXWRTLELQW-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

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

2.867

Water Solubility, LogSw

-4.27

Polar Surface Area

76.355

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

66.70

C073-3873 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C073-3873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3873?
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What is the minimum amount of C073-3873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3873
  • 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 C073-3873 available by request