C073-2957 Screening compound: (1S,2R,5S,7R)-3-(sec-butyl)-N~6~-(4-chlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-2957 Screening compound: (1S,2R,5S,7R)-3-(sec-butyl)-N~6~-(4-chlorophenyl)-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-2957 Screening compound: (1S,2R,5S,7R)-3-(sec-butyl)-N~6~-(4-chlorophenyl)-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 C073-2957
(1S,2R,5S,7R)-3-(sec-butyl)-N~6~-(4-chlorophenyl)-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

C073-2957

Molecular Formula

C28H36ClN3O4 (C28 H36 ClN3 O4)

Compound Name

(1S,2R,5S,7R)-3-(sec-butyl)-N~6~-(4-chlorophenyl)-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-(butan-2-yl)-N6-(4-chlorophenyl)-N2-(23-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCC(C)N(C([C@]1([C@H]2C3C(Nc(cc4)ccc4Cl)=O)O[C@H]3C=C1)C(NC1C(C)C(C)CCC1)=O)C2=O

InChI

InChI=1S/C28H36ClN3O4/c1-5-16(3)32-24(26(34)31-20-8-6-7-15(2)17(20)4)28-14-13-21(36-28)22(23(28)27(32)35)25(33)30-19-11-9-18(29)10-12-19/h9-17,20-24H,5-8H2,1-4H3,(H,30,33)(H,31,34)/t15?,16?,17?,20?,21-,22?,23-,24?,28-/m0/s1

InChI Key

IYVDAHIHFMYJLU-IPMMMFIFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

4.139

Water Solubility, LogSw

-4.49

Polar Surface Area

71.764

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

60.70

C073-2957 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 C073-2957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-2957?
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What is the minimum amount of C073-2957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-2957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-2957
  • 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 C073-2957 available by request