D138-0029 Screening compound: 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

D138-0029 Screening compound: 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
D138-0029 Screening compound: 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D138-0029
2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

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

D138-0029

Molecular Formula

C24H26ClN3O3 (C24 H26 ClN3 O3)

Compound Name

2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

IUPAC name

2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-124-oxadiazol-5-yl)methyl]propanamide

SMILES

CC(C(N(Cc1nc(-c2ccccc2)no1)C1CCCCC1)=O)Oc1cccc(Cl)c1

InChI

InChI=1S/C24H26ClN3O3/c1-17(30-21-14-8-11-19(25)15-21)24(29)28(20-12-6-3-7-13-20)16-22-26-23(27-31-22)18-9-4-2-5-10-18/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3/t17-/m0/s1

InChI Key

GPCYZNFMFKQTRE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06630841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.232

Distribution Coefficient, logD

6.232

Water Solubility, LogSw

-6.08

Polar Surface Area

53.555

Acid Dissociation Constant (pKa)

22.64

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D138-0029 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D138-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D138-0029?
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What is the minimum amount of D138-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D138-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D138-0029
  • 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 D138-0029 available by request