C073-4599 Screening compound: (1R,2S,5R,7S)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-[2-(2-methylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4599 Screening compound: (1R,2S,5R,7S)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-[2-(2-methylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4599 Screening compound: (1R,2S,5R,7S)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-[2-(2-methylpiperidino)ethyl]-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 C073-4599
(1R,2S,5R,7S)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-[2-(2-methylpiperidino)ethyl]-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

C073-4599

Molecular Formula

C30H39BrN4O4 (C30 H39 BrN4 O4)

Compound Name

(1R,2S,5R,7S)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-[2-(2-methylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5R7S)-N6-(4-bromophenyl)-N2-cyclohexyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC1N(CCN(C([C@]2([C@H]3C4C(Nc(cc5)ccc5Br)=O)O[C@H]4C=C2)C(NC2CCCCC2)=O)C3=O)CCCC1

InChI

InChI=1S/C30H39BrN4O4/c1-19-7-5-6-16-34(19)17-18-35-26(28(37)33-21-8-3-2-4-9-21)30-15-14-23(39-30)24(25(30)29(35)38)27(36)32-22-12-10-20(31)11-13-22/h10-15,19,21,23-26H,2-9,16-18H2,1H3,(H,32,36)(H,33,37)/t19?,23-,24?,25-,26?,30-/m0/s1

InChI Key

ZBFZEVVMJUCBIY-SXQCDBEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-4.22

Polar Surface Area

75.208

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

63.30

C073-4599 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C073-4599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-4599?
Check Price and Availability of C073-4599, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C073-4599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4599
  • 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 C073-4599 available by request