F127-0606 Screening compound: 2-({3-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}amino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

F127-0606 Screening compound: 2-({3-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}amino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
F127-0606 Screening compound: 2-({3-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}amino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F127-0606
2-({3-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}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

F127-0606

Molecular Formula

C27H24N6O2S (C27 H24 N6 O2 S)

Compound Name

2-({3-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}amino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

IUPAC name

2-({3-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}amino)-5H-[134]thiadiazolo[23-b]quinazolin-5-one

SMILES

Cc1cccc(N(CC2)CCN2C(c2cccc(NC(SC3=Nc4c5cccc4)=NN3C5=O)c2)=O)c1

InChI

InChI=1S/C27H24N6O2S/c1-18-6-4-9-21(16-18)31-12-14-32(15-13-31)24(34)19-7-5-8-20(17-19)28-26-30-33-25(35)22-10-2-3-11-23(22)29-27(33)36-26/h2-11,16-17H,12-15H2,1H3,(H,28,30)

InChI Key

KZFALGYONOMOEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.21

Polar Surface Area

66.775

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with F127-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F127-0606?
Check Price and Availability of F127-0606, 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 F127-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F127-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F127-0606
  • 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 F127-0606 available by request