D101-0036 Screening compound: N-cyclohexyl-3,4,5-trimethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

D101-0036 Screening compound: N-cyclohexyl-3,4,5-trimethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
D101-0036 Screening compound: N-cyclohexyl-3,4,5-trimethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0036
N-cyclohexyl-3,4,5-trimethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

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

D101-0036

Molecular Formula

C26H31N3O5 (C26 H31 N3 O5)

Compound Name

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

IUPAC name

N-cyclohexyl-345-trimethoxy-N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}benzamide

SMILES

Cc(cc1)ccc1-c1noc(CN(C2CCCCC2)C(c(cc2OC)cc(OC)c2OC)=O)n1

InChI

InChI=1S/C26H31N3O5/c1-17-10-12-18(13-11-17)25-27-23(34-28-25)16-29(20-8-6-5-7-9-20)26(30)19-14-21(31-2)24(33-4)22(15-19)32-3/h10-15,20H,5-9,16H2,1-4H3

InChI Key

FQLLZPKIOARTLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.478

Distribution Coefficient, logD

5.478

Water Solubility, LogSw

-5.29

Polar Surface Area

69.743

Acid Dissociation Constant (pKa)

26.96

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

D101-0036 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D101-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0036?
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What is the minimum amount of D101-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0036
  • 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 D101-0036 available by request