D526-0325 Screening compound: 7-(2-hydroxyphenyl)-3-methyl-4-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one

D526-0325 Screening compound: 7-(2-hydroxyphenyl)-3-methyl-4-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one
D526-0325 Screening compound: 7-(2-hydroxyphenyl)-3-methyl-4-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D526-0325
7-(2-hydroxyphenyl)-3-methyl-4-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-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

D526-0325

Molecular Formula

C21H18N2O3S (C21 H18 N2 O3 S)

Compound Name

7-(2-hydroxyphenyl)-3-methyl-4-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2]oxazolo[5,4-b]quinolin-5-one

IUPAC name

7-(2-hydroxyphenyl)-3-methyl-4-(thiophen-2-yl)-4H5H6H7H8H9H-[12]oxazolo[54-b]quinolin-5-one

SMILES

Cc1noc2c1C(c1cccs1)C(C(CC(C1)c(cccc3)c3O)=O)=C1N2

InChI

InChI=1S/C21H18N2O3S/c1-11-18-20(17-7-4-8-27-17)19-14(22-21(18)26-23-11)9-12(10-16(19)25)13-5-2-3-6-15(13)24/h2-8,12,20,22,24H,9-10H2,1H3

InChI Key

JEFKPYRKGZMBSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12208572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

1.441

Water Solubility, LogSw

-3.53

Polar Surface Area

63.005

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

D526-0325 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D526-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D526-0325?
Check Price and Availability of D526-0325, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D526-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D526-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D526-0325
  • 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 D526-0325 available by request