F127-0539 Screening compound: 3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide

F127-0539 Screening compound: 3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide
F127-0539 Screening compound: 3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F127-0539
3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)-N-[(1,3,5-trimethyl-1H-pyrazol-4-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

F127-0539

Molecular Formula

C23H21N7O2S (C23 H21 N7 O2 S)

Compound Name

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

IUPAC name

3-({5-oxo-5H-[134]thiadiazolo[23-b]quinazolin-2-yl}amino)-N-[(135-trimethyl-1H-pyrazol-4-yl)methyl]benzamide

SMILES

Cc1c(CNC(c2cccc(NC(SC3=Nc4c5cccc4)=NN3C5=O)c2)=O)c(C)nn1C

InChI

InChI=1S/C23H21N7O2S/c1-13-18(14(2)29(3)27-13)12-24-20(31)15-7-6-8-16(11-15)25-22-28-30-21(32)17-9-4-5-10-19(17)26-23(30)33-22/h4-11H,12H2,1-3H3,(H,24,31)(H,25,28)

InChI Key

MTJFSTPLOCCTFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-3.15

Polar Surface Area

86.119

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F127-0539 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F127-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F127-0539?
Check Price and Availability of F127-0539, 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 F127-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F127-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F127-0539
  • 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 F127-0539 available by request