G768-1449 Screening compound: methyl 4-[(4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate

G768-1449 Screening compound: methyl 4-[(4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate
G768-1449 Screening compound: methyl 4-[(4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-1449
methyl 4-[(4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate

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

G768-1449

Molecular Formula

C25H23FN6O4S (C25 H23 FN6 O4 S)

Compound Name

methyl 4-[(4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate

IUPAC name

methyl 4-[(4-{[2-(4-fluorophenyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate

SMILES

COC(c(cc1)ccc1NC(N1CCN(CC(N=C2SC(c(cc3)ccc3F)=NN22)=CC2=O)CC1)=O)=O

InChI

InChI=1S/C25H23FN6O4S/c1-36-23(34)17-4-8-19(9-5-17)27-24(35)31-12-10-30(11-13-31)15-20-14-21(33)32-25(28-20)37-22(29-32)16-2-6-18(26)7-3-16/h2-9,14H,10-13,15H2,1H3,(H,27,35)

InChI Key

HCAMGXVLOFZBRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.791

Distribution Coefficient, logD

2.706

Water Solubility, LogSw

-3.45

Polar Surface Area

88.454

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

G768-1449 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G768-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-1449?
Check Price and Availability of G768-1449, 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 G768-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-1449
  • 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 G768-1449 available by request