C073-5363 Screening compound: (1S,2R,5S,7R)-N~6~-(3-methoxyphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-3-(2-thienylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-5363 Screening compound: (1S,2R,5S,7R)-N~6~-(3-methoxyphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-3-(2-thienylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-5363 Screening compound: (1S,2R,5S,7R)-N~6~-(3-methoxyphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-3-(2-thienylmethyl)-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 C073-5363
(1S,2R,5S,7R)-N~6~-(3-methoxyphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-3-(2-thienylmethyl)-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

C073-5363

Molecular Formula

C29H33N3O5S (C29 H33 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)C1NC(C([C@]1([C@H]2C3C(Nc4cc(OC)ccc4)=O)O[C@H]3C=C1)N(Cc1cccs1)C2=O)=O

InChI

InChI=1S/C29H33N3O5S/c1-17-7-3-4-11-21(17)31-27(34)25-29-13-12-22(37-29)23(26(33)30-18-8-5-9-19(15-18)36-2)24(29)28(35)32(25)16-20-10-6-14-38-20/h5-6,8-10,12-15,17,21-25H,3-4,7,11,16H2,1-2H3,(H,30,33)(H,31,34)/t17?,21?,22-,23?,24+,25?,29-/m0/s1

InChI Key

HDLRYQBBGJKKMX-HNFRLKKTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.66

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

4.097

Distribution Coefficient, logD

4.082

Water Solubility, LogSw

-4.38

Polar Surface Area

80.749

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

48.30

C073-5363 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 C073-5363 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-5363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-5363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-5363
  • 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 C073-5363 available by request