C073-3717 Screening compound: (1S,2R,5S,7R)-3-butyl-N~6~-(3-chloro-4-fluorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3717 Screening compound: (1S,2R,5S,7R)-3-butyl-N~6~-(3-chloro-4-fluorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3717 Screening compound: (1S,2R,5S,7R)-3-butyl-N~6~-(3-chloro-4-fluorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-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 C073-3717
(1S,2R,5S,7R)-3-butyl-N~6~-(3-chloro-4-fluorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-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

C073-3717

Molecular Formula

C28H35ClFN3O4 (C28 H35 ClFN3 O4)

Compound Name

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

IUPAC name

(5S7R)-3-butyl-N6-(3-chloro-4-fluorophenyl)-N2-(23-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCCCN(C([C@]1([C@H]2C3C(Nc(cc4)cc(Cl)c4F)=O)O[C@H]3C=C1)C(NC1C(C)C(C)CCC1)=O)C2=O

InChI

InChI=1S/C28H35ClFN3O4/c1-4-5-13-33-24(26(35)32-20-8-6-7-15(2)16(20)3)28-12-11-21(37-28)22(23(28)27(33)36)25(34)31-17-9-10-19(30)18(29)14-17/h9-12,14-16,20-24H,4-8,13H2,1-3H3,(H,31,34)(H,32,35)/t15?,16?,20?,21-,22?,23-,24?,28-/m0/s1

InChI Key

FYOVNGSTRXKYPS-ARLYUAFXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.05

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

4.434

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-4.57

Polar Surface Area

72.437

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

60.70

C073-3717 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 C073-3717 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-3717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3717
  • 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 C073-3717 available by request