SC74-0533 Screening compound: (1R,3S,4R)-3-[(3-cyclohexylpropanoyl)amino]-N~1~-isopropyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide

SC74-0533 Screening compound: (1R,3S,4R)-3-[(3-cyclohexylpropanoyl)amino]-N~1~-isopropyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
SC74-0533 Screening compound: (1R,3S,4R)-3-[(3-cyclohexylpropanoyl)amino]-N~1~-isopropyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC74-0533
(1R,3S,4R)-3-[(3-cyclohexylpropanoyl)amino]-N~1~-isopropyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide

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

SC74-0533

Molecular Formula

C26H36N4O3 (C26 H36 N4 O3)

Compound Name

(1R,3S,4R)-3-[(3-cyclohexylpropanoyl)amino]-N~1~-isopropyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide

IUPAC name

(1R3S4R)-3-(3-cyclohexylpropanamido)-4-(3-phenyl-124-oxadiazol-5-yl)-N-(propan-2-yl)cyclopentane-1-carboxamide

SMILES

CC(C)NC([C@H](C[C@H]1c2nc(-c3ccccc3)no2)C[C@@H]1NC(CCC1CCCCC1)=O)=O

InChI

InChI=1S/C26H36N4O3/c1-17(2)27-25(32)20-15-21(26-29-24(30-33-26)19-11-7-4-8-12-19)22(16-20)28-23(31)14-13-18-9-5-3-6-10-18/h4,7-8,11-12,17-18,20-22H,3,5-6,9-10,13-16H2,1-2H3,(H,27,32)(H,28,31)/t20-,21+,22-/m1/s1

InChI Key

DVRBJZUKCHXLJH-BHIFYINESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.20

Polar Surface Area

80.177

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.54

SC74-0533 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with SC74-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC74-0533?
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What is the minimum amount of SC74-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC74-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC74-0533
  • 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 SC74-0533 available by request