F127-0113 Screening compound: 7-bromo-2-[(2-ethyl-6-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

F127-0113 Screening compound: 7-bromo-2-[(2-ethyl-6-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
F127-0113 Screening compound: 7-bromo-2-[(2-ethyl-6-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F127-0113
7-bromo-2-[(2-ethyl-6-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-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

F127-0113

Molecular Formula

C18H15BrN4OS (C18 H15 BrN4 OS)

Compound Name

7-bromo-2-[(2-ethyl-6-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

IUPAC name

7-bromo-2-[(2-ethyl-6-methylphenyl)amino]-5H-[134]thiadiazolo[23-b]quinazolin-5-one

SMILES

CCc(cccc1C)c1NC(SC1=Nc(cc2)c3cc2Br)=NN1C3=O

InChI

InChI=1S/C18H15BrN4OS/c1-3-11-6-4-5-10(2)15(11)21-17-22-23-16(24)13-9-12(19)7-8-14(13)20-18(23)25-17/h4-9H,3H2,1-2H3,(H,21,22)

InChI Key

DBPWDQPZTLPVIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

4.710

Water Solubility, LogSw

-4.44

Polar Surface Area

45.471

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F127-0113 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F127-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F127-0113?
Check Price and Availability of F127-0113, 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 F127-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F127-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F127-0113
  • 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 F127-0113 available by request