C073-3397 Screening compound: (1S,2R,5S,7R)-3-(3,4-dimethoxyphenethyl)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,4-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3397 Screening compound: (1S,2R,5S,7R)-3-(3,4-dimethoxyphenethyl)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,4-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3397 Screening compound: (1S,2R,5S,7R)-3-(3,4-dimethoxyphenethyl)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,4-dimethylphenyl)-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 C073-3397
(1S,2R,5S,7R)-3-(3,4-dimethoxyphenethyl)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,4-dimethylphenyl)-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

C073-3397

Molecular Formula

C36H45N3O6 (C36 H45 N3 O6)

Compound Name

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

IUPAC name

(5S7R)-3-[2-(34-dimethoxyphenyl)ethyl]-N2-(23-dimethylcyclohexyl)-N6-(34-dimethylphenyl)-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)c(C)cc4)=O)O[C@H]3C=C1)N(CCc(cc1)cc(OC)c1OC)C2=O)=O

InChI

InChI=1S/C36H45N3O6/c1-20-10-12-25(18-22(20)3)37-33(40)30-28-14-16-36(45-28)31(30)35(42)39(17-15-24-11-13-27(43-5)29(19-24)44-6)32(36)34(41)38-26-9-7-8-21(2)23(26)4/h10-14,16,18-19,21,23,26,28,30-32H,7-9,15,17H2,1-6H3,(H,37,40)(H,38,41)/t21?,23?,26?,28-,30?,31-,32?,36-/m0/s1

InChI Key

WIOIMFUYYGSYQC-PCAQDVOHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.808

Distribution Coefficient, logD

4.807

Water Solubility, LogSw

-4.62

Polar Surface Area

87.426

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

52.80

C073-3397 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 C073-3397 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-3397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3397
  • 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 C073-3397 available by request