P680-0072 Screening compound: 4-hydroxy-1-methyl-3-{3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}-1,2-dihydroquinolin-2-one

P680-0072 Screening compound: 4-hydroxy-1-methyl-3-{3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}-1,2-dihydroquinolin-2-one
P680-0072 Screening compound: 4-hydroxy-1-methyl-3-{3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P680-0072
4-hydroxy-1-methyl-3-{3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}-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

P680-0072

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

4-hydroxy-1-methyl-3-{3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}-1,2-dihydroquinolin-2-one

IUPAC name

4-hydroxy-1-methyl-3-{3-[4-(propan-2-yloxy)phenyl]-124-oxadiazol-5-yl}-12-dihydroquinolin-2-one

SMILES

CC(C)Oc(cc1)ccc1-c1noc(C(C(N(C)c2c3cccc2)=O)=C3O)n1

InChI

InChI=1S/C21H19N3O4/c1-12(2)27-14-10-8-13(9-11-14)19-22-20(28-23-19)17-18(25)15-6-4-5-7-16(15)24(3)21(17)26/h4-12,25H,1-3H3

InChI Key

XTEJNUCTQLYNBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27611043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

-0.269

Water Solubility, LogSw

-3.67

Polar Surface Area

68.658

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

P680-0072 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P680-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P680-0072?
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What is the minimum amount of P680-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P680-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P680-0072
  • 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 P680-0072 available by request