D101-0086 Screening compound: 2-bromo-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

D101-0086 Screening compound: 2-bromo-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide
D101-0086 Screening compound: 2-bromo-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0086
2-bromo-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)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

D101-0086

Molecular Formula

C20H20BrN3O2 (C20 H20 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(Cc1nc(-c2ccc(C)cc2)no1)C(c(cccc1)c1Br)=O

InChI

InChI=1S/C20H20BrN3O2/c1-13(2)24(20(25)16-6-4-5-7-17(16)21)12-18-22-19(23-26-18)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3

InChI Key

LKXVRDLVLVCHFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.084

Distribution Coefficient, logD

5.084

Water Solubility, LogSw

-4.85

Polar Surface Area

47.536

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D101-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0086?
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What is the minimum amount of D101-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0086
  • 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 D101-0086 available by request