D101-0091 Screening compound: N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)morpholine-4-carboxamide

D101-0091 Screening compound: N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)morpholine-4-carboxamide
D101-0091 Screening compound: N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)morpholine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0091
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)morpholine-4-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

D101-0091

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

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

IUPAC name

N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}-N-(propan-2-yl)morpholine-4-carboxamide

SMILES

CC(C)N(Cc1nc(-c2ccc(C)cc2)no1)C(N1CCOCC1)=O

InChI

InChI=1S/C18H24N4O3/c1-13(2)22(18(23)21-8-10-24-11-9-21)12-16-19-17(20-25-16)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3

InChI Key

TZTFQGXGRFMCNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07397487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.35

Polar Surface Area

57.250

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D101-0091 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D101-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0091?
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What is the minimum amount of D101-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0091
  • 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 D101-0091 available by request