C073-3876 Screening compound: (1R,2S,5R,7S)-3-{3-[benzyl(ethyl)amino]propyl}-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3876 Screening compound: (1R,2S,5R,7S)-3-{3-[benzyl(ethyl)amino]propyl}-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3876 Screening compound: (1R,2S,5R,7S)-3-{3-[benzyl(ethyl)amino]propyl}-N~2~-(2,3-dimethylcyclohexyl)-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 C073-3876
(1R,2S,5R,7S)-3-{3-[benzyl(ethyl)amino]propyl}-N~2~-(2,3-dimethylcyclohexyl)-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

C073-3876

Molecular Formula

C37H48N4O4 (C37 H48 N4 O4)

Compound Name

(1R,2S,5R,7S)-3-{3-[benzyl(ethyl)amino]propyl}-N~2~-(2,3-dimethylcyclohexyl)-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)-3-{3-[benzyl(ethyl)amino]propyl}-N2-(23-dimethylcyclohexyl)-N6-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCN(CCCN(C([C@]1([C@H]2C3C(Nc4cc(C)ccc4)=O)O[C@H]3C=C1)C(NC1C(C)C(C)CCC1)=O)C2=O)Cc1ccccc1

InChI

InChI=1S/C37H48N4O4/c1-5-40(23-27-14-7-6-8-15-27)20-11-21-41-33(35(43)39-29-17-10-13-25(3)26(29)4)37-19-18-30(45-37)31(32(37)36(41)44)34(42)38-28-16-9-12-24(2)22-28/h6-9,12,14-16,18-19,22,25-26,29-33H,5,10-11,13,17,20-21,23H2,1-4H3,(H,38,42)(H,39,43)/t25?,26?,29?,30-,31?,32-,33?,37-/m0/s1

InChI Key

NKZOIKVWZLVQNC-NLZDFJCJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.81

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

4.732

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-4.49

Polar Surface Area

75.852

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

54.10

C073-3876 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)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C073-3876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3876?
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What is the minimum amount of C073-3876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3876
  • 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 C073-3876 available by request