F127-0406 Screening compound: 4-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)-N-[(thiophen-2-yl)methyl]benzamide

F127-0406 Screening compound: 4-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)-N-[(thiophen-2-yl)methyl]benzamide
F127-0406 Screening compound: 4-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F127-0406
4-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)-N-[(thiophen-2-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

F127-0406

Molecular Formula

C21H15N5O2S2 (C21 H15 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1NC(SC1=Nc2c3cccc2)=NN1C3=O)NCc1cccs1

InChI

InChI=1S/C21H15N5O2S2/c27-18(22-12-15-4-3-11-29-15)13-7-9-14(10-8-13)23-20-25-26-19(28)16-5-1-2-6-17(16)24-21(26)30-20/h1-11H,12H2,(H,22,27)(H,23,25)

InChI Key

WMMSOGSKWNLJKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

2.983

Water Solubility, LogSw

-3.95

Polar Surface Area

72.298

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

F127-0406 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with F127-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F127-0406?
Check Price and Availability of F127-0406, 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 F127-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F127-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F127-0406
  • 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 F127-0406 available by request