C073-6209 Screening compound: (1R,2S,5R,7S)-3-(1,3-benzodioxol-5-ylmethyl)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-6209 Screening compound: (1R,2S,5R,7S)-3-(1,3-benzodioxol-5-ylmethyl)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-6209 Screening compound: (1R,2S,5R,7S)-3-(1,3-benzodioxol-5-ylmethyl)-N~6~-(4-isopropylphenyl)-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 C073-6209
(1R,2S,5R,7S)-3-(1,3-benzodioxol-5-ylmethyl)-N~6~-(4-isopropylphenyl)-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

C073-6209

Molecular Formula

C34H39N3O6 (C34 H39 N3 O6)

Compound Name

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

IUPAC name

(5R7S)-3-[(2H-13-benzodioxol-5-yl)methyl]-N2-(2-methylcyclohexyl)-4-oxo-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(Cc(cc2)cc3c2OCO3)C2C(NC3C(C)CCCC3)=O)=O)[C@H]3O[C@@]12C=C3)=O

InChI

InChI=1S/C34H39N3O6/c1-19(2)22-9-11-23(12-10-22)35-31(38)28-26-14-15-34(43-26)29(28)33(40)37(17-21-8-13-25-27(16-21)42-18-41-25)30(34)32(39)36-24-7-5-4-6-20(24)3/h8-16,19-20,24,26,28-30H,4-7,17-18H2,1-3H3,(H,35,38)(H,36,39)/t20?,24?,26-,28?,29-,30?,34-/m0/s1

InChI Key

GERRHBYZZYEQIC-MEHLLUFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.7

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

5.270

Distribution Coefficient, logD

5.268

Water Solubility, LogSw

-5.24

Polar Surface Area

89.302

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

50.00

C073-6209 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antimitotic Tubulin Library (17355 compounds)

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C073-6209 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-6209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-6209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-6209
  • 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 C073-6209 available by request