C073-4057 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3-methoxyphenyl)-4-oxo-3-(tetrahydro-2-furanylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4057 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3-methoxyphenyl)-4-oxo-3-(tetrahydro-2-furanylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4057 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3-methoxyphenyl)-4-oxo-3-(tetrahydro-2-furanylmethyl)-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 C073-4057
(1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3-methoxyphenyl)-4-oxo-3-(tetrahydro-2-furanylmethyl)-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

C073-4057

Molecular Formula

C28H35N3O6 (C28 H35 N3 O6)

Compound Name

(1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3-methoxyphenyl)-4-oxo-3-(tetrahydro-2-furanylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5R7S)-N2-cyclohexyl-N6-(3-methoxyphenyl)-4-oxo-3-[(oxolan-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

COc1cccc(NC(C([C@H]2C(N(CC3OCCC3)C3C(NC4CCCCC4)=O)=O)[C@H]4O[C@@]23C=C4)=O)c1

InChI

InChI=1S/C28H35N3O6/c1-35-19-10-5-9-18(15-19)30-25(32)22-21-12-13-28(37-21)23(22)27(34)31(16-20-11-6-14-36-20)24(28)26(33)29-17-7-3-2-4-8-17/h5,9-10,12-13,15,17,20-24H,2-4,6-8,11,14,16H2,1H3,(H,29,33)(H,30,32)/t20?,21-,22?,23-,24?,28-/m0/s1

InChI Key

UZVXBLAOLYBCDF-BGFGULHWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

2.650

Water Solubility, LogSw

-3.02

Polar Surface Area

87.995

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

60.70

C073-4057 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C073-4057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-4057?
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What is the minimum amount of C073-4057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4057
  • 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 C073-4057 available by request