F525-0070 Screening compound: N-(4-fluorophenyl)-4-[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide

F525-0070 Screening compound: N-(4-fluorophenyl)-4-[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
F525-0070 Screening compound: N-(4-fluorophenyl)-4-[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F525-0070
N-(4-fluorophenyl)-4-[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide

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

F525-0070

Molecular Formula

C23H21FN6O2S (C23 H21 FN6 O2 S)

Compound Name

N-(4-fluorophenyl)-4-[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide

IUPAC name

N-(4-fluorophenyl)-4-[2-(2-methylphenyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]piperazine-1-carboxamide

SMILES

Cc(cccc1)c1C(SC1=NC(N(CC2)CCN2C(Nc(cc2)ccc2F)=O)=C2)=NN1C2=O

InChI

InChI=1S/C23H21FN6O2S/c1-15-4-2-3-5-18(15)21-27-30-20(31)14-19(26-23(30)33-21)28-10-12-29(13-11-28)22(32)25-17-8-6-16(24)7-9-17/h2-9,14H,10-13H2,1H3,(H,25,32)

InChI Key

MOJLHZALCKXSRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14957991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

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

3.335

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.75

Polar Surface Area

66.645

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F525-0070 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 F525-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F525-0070?
Check Price and Availability of F525-0070, 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 F525-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F525-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F525-0070
  • 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 F525-0070 available by request