D101-0177 Screening compound: 2-bromo-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

D101-0177 Screening compound: 2-bromo-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
D101-0177 Screening compound: 2-bromo-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0177
2-bromo-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

D101-0177

Molecular Formula

C17H14BrN3O2 (C17 H14 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1noc(CNC(c(cccc2)c2Br)=O)n1

InChI

InChI=1S/C17H14BrN3O2/c1-11-6-8-12(9-7-11)16-20-15(23-21-16)10-19-17(22)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H,19,22)

InChI Key

DMADQLGPDHAYBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07363311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.22

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

4.413

Distribution Coefficient, logD

4.413

Water Solubility, LogSw

-4.38

Polar Surface Area

55.995

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D101-0177 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D101-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0177?
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What is the minimum amount of D101-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0177
  • 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 D101-0177 available by request