D101-0056 Screening compound: N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide

D101-0056 Screening compound: N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
D101-0056 Screening compound: N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0056
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H-1,3-benzodioxole-5-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

D101-0056

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-cyclohexyl-N-[(3-phenyl-124-oxadiazol-5-yl)methyl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1

InChI

InChI=1S/C23H23N3O4/c27-23(17-11-12-19-20(13-17)29-15-28-19)26(18-9-5-2-6-10-18)14-21-24-22(25-30-21)16-7-3-1-4-8-16/h1,3-4,7-8,11-13,18H,2,5-6,9-10,14-15H2

InChI Key

UJJMDLPNFZEWTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.073

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-5.02

Polar Surface Area

63.881

Acid Dissociation Constant (pKa)

26.96

Base Dissociation Constant (pKb)

-5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with D101-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0056?
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What is the minimum amount of D101-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0056
  • 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 D101-0056 available by request