C073-3634 Screening compound: (1S,2R,5S,7R)-N~2~,3-bis(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3634 Screening compound: (1S,2R,5S,7R)-N~2~,3-bis(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3634 Screening compound: (1S,2R,5S,7R)-N~2~,3-bis(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-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 C073-3634
(1S,2R,5S,7R)-N~2~,3-bis(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-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

C073-3634

Molecular Formula

C35H49N3O4 (C35 H49 N3 O4)

Compound Name

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

IUPAC name

(5S7R)-N23-bis(23-dimethylcyclohexyl)-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)C(C)CCC3)=O)C3C(C)C(C)CCC3)=O)[C@H]3O[C@@]12C=C3)=O

InChI

InChI=1S/C35H49N3O4/c1-19(2)24-13-15-25(16-14-24)36-32(39)29-28-17-18-35(42-28)30(29)34(41)38(27-12-8-10-21(4)23(27)6)31(35)33(40)37-26-11-7-9-20(3)22(26)5/h13-23,26-31H,7-12H2,1-6H3,(H,36,39)(H,37,40)/t20?,21?,22?,23?,26?,27?,28-,29?,30-,31?,35-/m0/s1

InChI Key

YSPBMFDMNSEFAH-HGDACWIESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.79

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

5.387

Distribution Coefficient, logD

5.385

Water Solubility, LogSw

-5.43

Polar Surface Area

70.874

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

11.00

Percent sp3 carbon bonding

68.60

C073-3634 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 C073-3634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3634?
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What is the minimum amount of C073-3634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3634
  • 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 C073-3634 available by request