C073-6216 Screening compound: (1S,2R,5S,7R)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-3-phenethyl-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-6216 Screening compound: (1S,2R,5S,7R)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-3-phenethyl-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-6216 Screening compound: (1S,2R,5S,7R)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-3-phenethyl-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 C073-6216
(1S,2R,5S,7R)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-3-phenethyl-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

C073-6216

Molecular Formula

C34H41N3O4 (C34 H41 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(C([C@H]1C(N(CCc2ccccc2)C2C(NC3C(C)CCCC3)=O)=O)[C@H]3O[C@@]12C=C3)=O

InChI

InChI=1S/C34H41N3O4/c1-21(2)24-13-15-25(16-14-24)35-31(38)28-27-17-19-34(41-27)29(28)33(40)37(20-18-23-10-5-4-6-11-23)30(34)32(39)36-26-12-8-7-9-22(26)3/h4-6,10-11,13-17,19,21-22,26-30H,7-9,12,18,20H2,1-3H3,(H,35,38)(H,36,39)/t22?,26?,27-,28?,29-,30?,34-/m0/s1

InChI Key

CIJNCOOLIOWXKC-IWGUJPRMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

5.866

Water Solubility, LogSw

-5.59

Polar Surface Area

72.165

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

50.00

C073-6216 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C073-6216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-6216?
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What is the minimum amount of C073-6216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-6216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-6216
  • 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 C073-6216 available by request