C073-2971 Screening compound: (1R,2S,5R,7S)-N~6~-(4-chlorophenyl)-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

C073-2971 Screening compound: (1R,2S,5R,7S)-N~6~-(4-chlorophenyl)-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
C073-2971 Screening compound: (1R,2S,5R,7S)-N~6~-(4-chlorophenyl)-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 C073-2971
(1R,2S,5R,7S)-N~6~-(4-chlorophenyl)-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

C073-2971

Molecular Formula

C30H41ClN4O4 (C30 H41 ClN4 O4)

Compound Name

(1R,2S,5R,7S)-N~6~-(4-chlorophenyl)-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-(4-chlorophenyl)-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(Nc(cc4)ccc4Cl)=O)O[C@H]3C=C1)C(NC1C(C)C(C)CCC1)=O)C2=O

InChI

InChI=1S/C30H41ClN4O4/c1-5-34(6-2)16-17-35-26(28(37)33-22-9-7-8-18(3)19(22)4)30-15-14-23(39-30)24(25(30)29(35)38)27(36)32-21-12-10-20(31)11-13-21/h10-15,18-19,22-26H,5-9,16-17H2,1-4H3,(H,32,36)(H,33,37)/t18?,19?,22?,23-,24?,25-,26?,30-/m0/s1

InChI Key

UKGDRTQJRPQCJJ-NKECMZQSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.13

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

3.822

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-4.33

Polar Surface Area

75.848

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

63.30

C073-2971 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 C073-2971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-2971?
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What is the minimum amount of C073-2971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-2971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-2971
  • 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 C073-2971 available by request