C073-3433 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,4-dimethylphenyl)-4-oxo-3-(3-piperidinopropyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3433 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,4-dimethylphenyl)-4-oxo-3-(3-piperidinopropyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3433 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,4-dimethylphenyl)-4-oxo-3-(3-piperidinopropyl)-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 C073-3433
(1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,4-dimethylphenyl)-4-oxo-3-(3-piperidinopropyl)-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

C073-3433

Molecular Formula

C34H48N4O4 (C34 H48 N4 O4)

Compound Name

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

IUPAC name

(5R7S)-N2-(23-dimethylcyclohexyl)-N6-(34-dimethylphenyl)-4-oxo-3-[3-(piperidin-1-yl)propyl]-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(CCCN1CCCCC1)C2=O)=O

InChI

InChI=1S/C34H48N4O4/c1-21-12-13-25(20-23(21)3)35-31(39)28-27-14-15-34(42-27)29(28)33(41)38(19-9-18-37-16-6-5-7-17-37)30(34)32(40)36-26-11-8-10-22(2)24(26)4/h12-15,20,22,24,26-30H,5-11,16-19H2,1-4H3,(H,35,39)(H,36,40)/t22?,24?,26?,27-,28?,29-,30?,34-/m0/s1

InChI Key

XQNYLXLKZVXVQZ-HMWOEJTBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

2.071

Water Solubility, LogSw

-4.21

Polar Surface Area

76.148

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

67.60

C073-3433 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 C073-3433 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-3433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3433
  • 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 C073-3433 available by request