C073-2630 Screening compound: (1R,2S,5R,7S)-N~6~-(3,5-dichlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(1-methyl-3-phenylpropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-2630 Screening compound: (1R,2S,5R,7S)-N~6~-(3,5-dichlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(1-methyl-3-phenylpropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-2630 Screening compound: (1R,2S,5R,7S)-N~6~-(3,5-dichlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(1-methyl-3-phenylpropyl)-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 C073-2630
(1R,2S,5R,7S)-N~6~-(3,5-dichlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(1-methyl-3-phenylpropyl)-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

C073-2630

Molecular Formula

C34H39Cl2N3O4 (C34 H39 Cl2 N3 O4)

Compound Name

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

IUPAC name

(5R7S)-N6-(35-dichlorophenyl)-N2-(23-dimethylcyclohexyl)-4-oxo-3-(4-phenylbutan-2-yl)-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(CCc1ccccc1)N(C([C@]1([C@H]2C3C(Nc4cc(Cl)cc(Cl)c4)=O)O[C@H]3C=C1)C(NC1C(C)C(C)CCC1)=O)C2=O

InChI

InChI=1S/C34H39Cl2N3O4/c1-19-8-7-11-26(21(19)3)38-32(41)30-34-15-14-27(43-34)28(31(40)37-25-17-23(35)16-24(36)18-25)29(34)33(42)39(30)20(2)12-13-22-9-5-4-6-10-22/h4-6,9-10,14-21,26-30H,7-8,11-13H2,1-3H3,(H,37,40)(H,38,41)/t19?,20?,21?,26?,27-,28?,29-,30?,34-/m0/s1

InChI Key

OQZNTCGVXYXRBP-VZOCYBMKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.61

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

6.344

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-6.28

Polar Surface Area

71.492

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

50.00

C073-2630 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 C073-2630 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-2630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-2630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-2630
  • 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 C073-2630 available by request