F127-0626 Screening compound: N-(2,4-dimethoxyphenyl)-4-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide

F127-0626 Screening compound: N-(2,4-dimethoxyphenyl)-4-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide
F127-0626 Screening compound: N-(2,4-dimethoxyphenyl)-4-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F127-0626
N-(2,4-dimethoxyphenyl)-4-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)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

F127-0626

Molecular Formula

C24H19N5O4S (C24 H19 N5 O4 S)

Compound Name

N-(2,4-dimethoxyphenyl)-4-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide

IUPAC name

N-(24-dimethoxyphenyl)-4-({5-oxo-5H-[134]thiadiazolo[23-b]quinazolin-2-yl}amino)benzamide

SMILES

COc(cc1)cc(OC)c1NC(c(cc1)ccc1NC(SC1=Nc2c3cccc2)=NN1C3=O)=O

InChI

InChI=1S/C24H19N5O4S/c1-32-16-11-12-19(20(13-16)33-2)26-21(30)14-7-9-15(10-8-14)25-23-28-29-22(31)17-5-3-4-6-18(17)27-24(29)34-23/h3-13H,1-2H3,(H,25,28)(H,26,30)

InChI Key

KVLHLKJJKKJVDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27103399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.285

Water Solubility, LogSw

-4.10

Polar Surface Area

84.434

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

F127-0626 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 F127-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F127-0626?
Check Price and Availability of F127-0626, 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 F127-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F127-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F127-0626
  • 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 F127-0626 available by request