C073-3331 Screening compound: (1R,2S,5R,7S)-N~6~-(3-chloro-4-methylphenyl)-3-[2-(diethylamino)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3331 Screening compound: (1R,2S,5R,7S)-N~6~-(3-chloro-4-methylphenyl)-3-[2-(diethylamino)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3331 Screening compound: (1R,2S,5R,7S)-N~6~-(3-chloro-4-methylphenyl)-3-[2-(diethylamino)ethyl]-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 C073-3331
(1R,2S,5R,7S)-N~6~-(3-chloro-4-methylphenyl)-3-[2-(diethylamino)ethyl]-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

C073-3331

Molecular Formula

C31H43ClN4O4 (C31 H43 ClN4 O4)

Compound Name

(1R,2S,5R,7S)-N~6~-(3-chloro-4-methylphenyl)-3-[2-(diethylamino)ethyl]-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

(5R7S)-N6-(3-chloro-4-methylphenyl)-3-[2-(diethylamino)ethyl]-N2-(23-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCN(CC)CCN(C([C@]1([C@H]2C3C(Nc4cc(Cl)c(C)cc4)=O)O[C@H]3C=C1)C(NC1C(C)C(C)CCC1)=O)C2=O

InChI

InChI=1S/C31H43ClN4O4/c1-6-35(7-2)15-16-36-27(29(38)34-23-10-8-9-18(3)20(23)5)31-14-13-24(40-31)25(26(31)30(36)39)28(37)33-21-12-11-19(4)22(32)17-21/h11-14,17-18,20,23-27H,6-10,15-16H2,1-5H3,(H,33,37)(H,34,38)/t18?,20?,23?,24-,25?,26-,27?,31-/m0/s1

InChI Key

CFHDNNIIXZPVJU-SLYXRCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.16

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-4.68

Polar Surface Area

75.848

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

64.50

C073-3331 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C073-3331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3331?
Check Price and Availability of C073-3331, 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 C073-3331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3331
  • 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 C073-3331 available by request