D412-0555 Screening compound: 5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D412-0555 Screening compound: 5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D412-0555 Screening compound: 5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D412-0555
5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

D412-0555

Molecular Formula

C21H22FN7OS (C21 H22 FN7 OS)

Compound Name

5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-{[(thiophen-2-yl)methyl]amino}-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

O=C1n2nc(NCc3cccs3)nc2NC(CN(CC2)CCN2c(cc2)ccc2F)=C1

InChI

InChI=1S/C21H22FN7OS/c22-15-3-5-17(6-4-15)28-9-7-27(8-10-28)14-16-12-19(30)29-21(24-16)25-20(26-29)23-13-18-2-1-11-31-18/h1-6,11-12H,7-10,13-14H2,(H2,23,24,25,26)

InChI Key

ZABCJONNDRLLDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584849

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-2.90

Polar Surface Area

70.992

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D412-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D412-0555?
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What is the minimum amount of D412-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D412-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D412-0555
  • 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 D412-0555 available by request