C073-5732 Screening compound: (1S,2R,5S,7R)-N~6~-(4-ethoxyphenyl)-3-isopropyl-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-5732 Screening compound: (1S,2R,5S,7R)-N~6~-(4-ethoxyphenyl)-3-isopropyl-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-5732 Screening compound: (1S,2R,5S,7R)-N~6~-(4-ethoxyphenyl)-3-isopropyl-N~2~-(2-methylcyclohexyl)-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 C073-5732
(1S,2R,5S,7R)-N~6~-(4-ethoxyphenyl)-3-isopropyl-N~2~-(2-methylcyclohexyl)-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

C073-5732

Molecular Formula

C28H37N3O5 (C28 H37 N3 O5)

Compound Name

(1S,2R,5S,7R)-N~6~-(4-ethoxyphenyl)-3-isopropyl-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5S7R)-N6-(4-ethoxyphenyl)-N2-(2-methylcyclohexyl)-4-oxo-3-(propan-2-yl)-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCOc(cc1)ccc1NC(C([C@H]1C(N(C(C)C)C2C(NC3C(C)CCCC3)=O)=O)[C@H]3O[C@@]12C=C3)=O

InChI

InChI=1S/C28H37N3O5/c1-5-35-19-12-10-18(11-13-19)29-25(32)22-21-14-15-28(36-21)23(22)27(34)31(16(2)3)24(28)26(33)30-20-9-7-6-8-17(20)4/h10-17,20-24H,5-9H2,1-4H3,(H,29,32)(H,30,33)/t17?,20?,21-,22?,23-,24?,28-/m0/s1

InChI Key

YZOLDXXQDISBNP-RMNXSDCCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

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

3.686

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-3.98

Polar Surface Area

79.303

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

60.70

C073-5732 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C073-5732 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 C073-5732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-5732
  • 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 C073-5732 available by request