D101-0499 Screening compound: 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

D101-0499 Screening compound: 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
D101-0499 Screening compound: 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0499
2,2-dimethyl-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

D101-0499

Molecular Formula

C14H17N3O2 (C14 H17 N3 O2)

Compound Name

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

IUPAC name

22-dimethyl-N-[(3-phenyl-124-oxadiazol-5-yl)methyl]propanamide

SMILES

CC(C)(C)C(NCc1nc(-c2ccccc2)no1)=O

InChI

InChI=1S/C14H17N3O2/c1-14(2,3)13(18)15-9-11-16-12(17-19-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,18)

InChI Key

GDHWDMICCHFJCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07188631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.993

Distribution Coefficient, logD

2.993

Water Solubility, LogSw

-3.22

Polar Surface Area

56.266

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

D101-0499 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D101-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0499?
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What is the minimum amount of D101-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0499
  • 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 D101-0499 available by request