D101-0095 Screening compound: 2-cyclohexyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide

D101-0095 Screening compound: 2-cyclohexyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide
D101-0095 Screening compound: 2-cyclohexyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0095
2-cyclohexyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide

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

D101-0095

Molecular Formula

C21H29N3O2 (C21 H29 N3 O2)

Compound Name

2-cyclohexyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide

IUPAC name

2-cyclohexyl-N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide

SMILES

CC(C)N(Cc1nc(-c2cc(C)ccc2)no1)C(CC1CCCCC1)=O

InChI

InChI=1S/C21H29N3O2/c1-15(2)24(20(25)13-17-9-5-4-6-10-17)14-19-22-21(23-26-19)18-11-7-8-16(3)12-18/h7-8,11-12,15,17H,4-6,9-10,13-14H2,1-3H3

InChI Key

KTEHGBBUNMLIFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.586

Distribution Coefficient, logD

5.586

Water Solubility, LogSw

-5.38

Polar Surface Area

47.201

Acid Dissociation Constant (pKa)

24.54

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

D101-0095 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 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 D101-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0095?
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What is the minimum amount of D101-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0095
  • 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 D101-0095 available by request