C073-6223 Screening compound: (1S,2R,5S,7R)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-3-(4-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-6223 Screening compound: (1S,2R,5S,7R)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-3-(4-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-6223 Screening compound: (1S,2R,5S,7R)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-3-(4-methylcyclohexyl)-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 C073-6223
(1S,2R,5S,7R)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-3-(4-methylcyclohexyl)-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

C073-6223

Molecular Formula

C33H45N3O4 (C33 H45 N3 O4)

Compound Name

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

IUPAC name

(5S7R)-N2-(2-methylcyclohexyl)-3-(4-methylcyclohexyl)-4-oxo-N6-[4-(propan-2-yl)phenyl]-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(C)c(cc1)ccc1NC(C([C@H]1C(N(C2C(NC3C(C)CCCC3)=O)C3CCC(C)CC3)=O)[C@H]3O[C@@]12C=C3)=O

InChI

InChI=1S/C33H45N3O4/c1-19(2)22-11-13-23(14-12-22)34-30(37)27-26-17-18-33(40-26)28(27)32(39)36(24-15-9-20(3)10-16-24)29(33)31(38)35-25-8-6-5-7-21(25)4/h11-14,17-21,24-29H,5-10,15-16H2,1-4H3,(H,34,37)(H,35,38)/t20?,21?,24?,25?,26-,27?,28-,29?,33-/m0/s1

InChI Key

XLYAUFVOMHYBTG-CTIOASAHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.74

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

6.370

Distribution Coefficient, logD

6.367

Water Solubility, LogSw

-5.69

Polar Surface Area

71.409

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

66.70

C073-6223 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 C073-6223 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-6223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-6223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-6223
  • 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 C073-6223 available by request