C363-0007 Screening compound: 2-butyl-7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C363-0007 Screening compound: 2-butyl-7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C363-0007 Screening compound: 2-butyl-7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C363-0007
2-butyl-7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-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

C363-0007

Molecular Formula

C20H20F3N7O5S (C20 H20 F3 N7 O5 S)

Compound Name

2-butyl-7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-butyl-7-{4-[26-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCCCC(SC1=NC(N(CC2)CCN2c(c([N+]([O-])=O)cc(C(F)(F)F)c2)c2[N+]([O-])=O)=C2)=NN1C2=O

InChI

InChI=1S/C20H20F3N7O5S/c1-2-3-4-16-25-28-17(31)11-15(24-19(28)36-16)26-5-7-27(8-6-26)18-13(29(32)33)9-12(20(21,22)23)10-14(18)30(34)35/h9-11H,2-8H2,1H3

InChI Key

MESVENFGOJWQDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03941632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

5.088

Water Solubility, LogSw

-5.30

Polar Surface Area

110.363

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with C363-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C363-0007?
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What is the minimum amount of C363-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C363-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C363-0007
  • 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 C363-0007 available by request