P680-0038 Screening compound: 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1,2-dihydroquinolin-2-one

P680-0038 Screening compound: 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1,2-dihydroquinolin-2-one
P680-0038 Screening compound: 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P680-0038
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1,2-dihydroquinolin-2-one

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

P680-0038

Molecular Formula

C17H10BrN3O3 (C17 H10 BrN3 O3)

Compound Name

3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1,2-dihydroquinolin-2-one

IUPAC name

3-[3-(3-bromophenyl)-124-oxadiazol-5-yl]-4-hydroxy-12-dihydroquinolin-2-one

SMILES

OC(c(cccc1)c1N1)=C(c2nc(-c3cccc(Br)c3)no2)C1=O

InChI

InChI=1S/C17H10BrN3O3/c18-10-5-3-4-9(8-10)15-20-17(24-21-15)13-14(22)11-6-1-2-7-12(11)19-16(13)23/h1-8H,(H2,19,22,23)

InChI Key

MPFJPUAXTZFCHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27611022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

-0.336

Water Solubility, LogSw

-3.98

Polar Surface Area

71.593

Acid Dissociation Constant (pKa)

3.26

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P680-0038 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P680-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P680-0038?
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What is the minimum amount of P680-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P680-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P680-0038
  • 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 P680-0038 available by request