C073-4510 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-oxo-N~6~-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4510 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-oxo-N~6~-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4510 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-oxo-N~6~-(4-phenoxyphenyl)-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 C073-4510
(1S,2R,5S,7R)-N~2~-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-oxo-N~6~-(4-phenoxyphenyl)-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

C073-4510

Molecular Formula

C37H37N3O7 (C37 H37 N3 O7)

Compound Name

(1S,2R,5S,7R)-N~2~-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-oxo-N~6~-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5S7R)-N2-cyclohexyl-3-[(23-dihydro-14-benzodioxin-2-yl)methyl]-4-oxo-N6-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

O=C(C([C@H]1C(N(CC2Oc(cccc3)c3OC2)C2C(NC3CCCCC3)=O)=O)[C@H]3O[C@@]12C=C3)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C37H37N3O7/c41-34(38-24-15-17-26(18-16-24)45-25-11-5-2-6-12-25)31-30-19-20-37(47-30)32(31)36(43)40(33(37)35(42)39-23-9-3-1-4-10-23)21-27-22-44-28-13-7-8-14-29(28)46-27/h2,5-8,11-20,23,27,30-33H,1,3-4,9-10,21-22H2,(H,38,41)(H,39,42)/t27?,30-,31?,32-,33?,37-/m0/s1

InChI Key

IWENRUXBYMNLKT-RFXHVQHBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.503

Distribution Coefficient, logD

5.501

Water Solubility, LogSw

-5.72

Polar Surface Area

94.224

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

37.80

C073-4510 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 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
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C073-4510 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4510
  • 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 C073-4510 available by request