F570-0013 Screening compound: N-(4-methyl-2-{[4-({5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)piperazin-1-yl]sulfonyl}phenyl)acetamide

F570-0013 Screening compound: N-(4-methyl-2-{[4-({5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)piperazin-1-yl]sulfonyl}phenyl)acetamide
F570-0013 Screening compound: N-(4-methyl-2-{[4-({5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)piperazin-1-yl]sulfonyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F570-0013
N-(4-methyl-2-{[4-({5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)piperazin-1-yl]sulfonyl}phenyl)acetamide

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

F570-0013

Molecular Formula

C25H26N6O4S2 (C25 H26 N6 O4 S2)

Compound Name

N-(4-methyl-2-{[4-({5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)piperazin-1-yl]sulfonyl}phenyl)acetamide

IUPAC name

N-(4-methyl-2-{[4-({5-oxo-2-phenyl-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl)piperazin-1-yl]sulfonyl}phenyl)acetamide

SMILES

CC(Nc(ccc(C)c1)c1S(N1CCN(CC(N=C2SC(c3ccccc3)=NN22)=CC2=O)CC1)(=O)=O)=O

InChI

InChI=1S/C25H26N6O4S2/c1-17-8-9-21(26-18(2)32)22(14-17)37(34,35)30-12-10-29(11-13-30)16-20-15-23(33)31-25(27-20)36-24(28-31)19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,26,32)

InChI Key

MIJLSPBCKBLAJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14959143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.65

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.701

Distribution Coefficient, logD

1.699

Water Solubility, LogSw

-2.67

Polar Surface Area

96.086

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F570-0013 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 F570-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F570-0013?
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What is the minimum amount of F570-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F570-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F570-0013
  • 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 F570-0013 available by request