C073-3608 Screening compound: (1S,2R,5S,7R)-3-(4-chlorobenzyl)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3608 Screening compound: (1S,2R,5S,7R)-3-(4-chlorobenzyl)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3608 Screening compound: (1S,2R,5S,7R)-3-(4-chlorobenzyl)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-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 C073-3608
(1S,2R,5S,7R)-3-(4-chlorobenzyl)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-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

C073-3608

Molecular Formula

C34H40ClN3O4 (C34 H40 ClN3 O4)

Compound Name

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

IUPAC name

(5S7R)-3-[(4-chlorophenyl)methyl]-N2-(23-dimethylcyclohexyl)-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)ccc2Cl)C2C(NC3C(C)C(C)CCC3)=O)=O)[C@H]3O[C@]12C=C3)=O

InChI

InChI=1S/C34H40ClN3O4/c1-19(2)23-10-14-25(15-11-23)36-31(39)28-27-16-17-34(42-27)29(28)33(41)38(18-22-8-12-24(35)13-9-22)30(34)32(40)37-26-7-5-6-20(3)21(26)4/h8-17,19-21,26-30H,5-7,18H2,1-4H3,(H,36,39)(H,37,40)/t20?,21?,26?,27-,28?,29+,30?,34-/m0/s1

InChI Key

LDUVCPQSLJAHOI-YCXVBORLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.16

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.768

Distribution Coefficient, logD

5.766

Water Solubility, LogSw

-6.21

Polar Surface Area

72.187

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

50.00

C073-3608 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 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:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C073-3608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3608?
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What is the minimum amount of C073-3608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3608
  • 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 C073-3608 available by request