C073-2974 Screening compound: (1S,2R,5S,7R)-N~6~-(4-chlorophenyl)-3-cyclopropyl-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-2974 Screening compound: (1S,2R,5S,7R)-N~6~-(4-chlorophenyl)-3-cyclopropyl-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-2974 Screening compound: (1S,2R,5S,7R)-N~6~-(4-chlorophenyl)-3-cyclopropyl-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 C073-2974
(1S,2R,5S,7R)-N~6~-(4-chlorophenyl)-3-cyclopropyl-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

C073-2974

Molecular Formula

C27H32ClN3O4 (C27 H32 ClN3 O4)

Compound Name

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

SMILES

CC(CCC1)C(C)C1NC(C([C@]1([C@H]2C3C(Nc(cc4)ccc4Cl)=O)O[C@H]3C=C1)N(C1CC1)C2=O)=O

InChI

InChI=1S/C27H32ClN3O4/c1-14-4-3-5-19(15(14)2)30-25(33)23-27-13-12-20(35-27)21(22(27)26(34)31(23)18-10-11-18)24(32)29-17-8-6-16(28)7-9-17/h6-9,12-15,18-23H,3-5,10-11H2,1-2H3,(H,29,32)(H,30,33)/t14?,15?,19?,20-,21?,22-,23?,27-/m0/s1

InChI Key

FGXGWBUYAAWZNV-QKWHGXPSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-4.24

Polar Surface Area

71.740

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

59.30

C073-2974 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Autophagy-Targeted Library (4564 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C073-2974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-2974?
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What is the minimum amount of C073-2974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-2974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-2974
  • 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 C073-2974 available by request