C073-3837 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-3-(3-morpholinopropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3837 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-3-(3-morpholinopropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3837 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-3-(3-morpholinopropyl)-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 C073-3837
(1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-3-(3-morpholinopropyl)-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

C073-3837

Molecular Formula

C32H44N4O5 (C32 H44 N4 O5)

Compound Name

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

IUPAC name

(5R7S)-N2-(23-dimethylcyclohexyl)-N6-(3-methylphenyl)-3-[3-(morpholin-4-yl)propyl]-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(Nc4cc(C)ccc4)=O)O[C@H]3C=C1)N(CCCN1CCOCC1)C2=O)=O

InChI

InChI=1S/C32H44N4O5/c1-20-7-4-9-23(19-20)33-29(37)26-25-11-12-32(41-25)27(26)31(39)36(14-6-13-35-15-17-40-18-16-35)28(32)30(38)34-24-10-5-8-21(2)22(24)3/h4,7,9,11-12,19,21-22,24-28H,5-6,8,10,13-18H2,1-3H3,(H,33,37)(H,34,38)/t21?,22?,24?,25-,26?,27-,28?,32-/m0/s1

InChI Key

YOCQPTVVVIPLIC-UBYGDHCDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-2.80

Polar Surface Area

84.056

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

65.60

C073-3837 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 C073-3837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3837?
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What is the minimum amount of C073-3837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3837
  • 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 C073-3837 available by request