C073-3879 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-3-[2-(2-methylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3879 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-3-[2-(2-methylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3879 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-3-[2-(2-methylpiperidino)ethyl]-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 C073-3879
(1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-3-[2-(2-methylpiperidino)ethyl]-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

C073-3879

Molecular Formula

C33H46N4O4 (C33 H46 N4 O4)

Compound Name

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

IUPAC name

(5R7S)-N2-(23-dimethylcyclohexyl)-N6-(3-methylphenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]-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)ccc4)=O)O[C@H]3C=C1)N(CCN1C(C)CCCC1)C2=O)=O

InChI

InChI=1S/C33H46N4O4/c1-20-9-7-12-24(19-20)34-30(38)27-26-14-15-33(41-26)28(27)32(40)37(18-17-36-16-6-5-11-22(36)3)29(33)31(39)35-25-13-8-10-21(2)23(25)4/h7,9,12,14-15,19,21-23,25-29H,5-6,8,10-11,13,16-18H2,1-4H3,(H,34,38)(H,35,39)/t21?,22?,23?,25?,26-,27?,28-,29?,33-/m0/s1

InChI Key

GKELIDMHKSHASD-WKZVPYQRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-3.87

Polar Surface Area

75.599

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

66.70

C073-3879 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 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

References: we are preparing a list of scientific research reports with C073-3879 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-3879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3879
  • 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 C073-3879 available by request