V004-4583 Screening compound: 1-(2-fluorobenzenesulfonyl)-4-[7-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine

V004-4583 Screening compound: 1-(2-fluorobenzenesulfonyl)-4-[7-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine
V004-4583 Screening compound: 1-(2-fluorobenzenesulfonyl)-4-[7-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4583
1-(2-fluorobenzenesulfonyl)-4-[7-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine

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

V004-4583

Molecular Formula

C19H17FN6O2S2 (C19 H17 FN6 O2 S2)

Compound Name

1-(2-fluorobenzenesulfonyl)-4-[7-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine

IUPAC name

1-(2-fluorobenzenesulfonyl)-4-[7-(thiophen-2-yl)-[124]triazolo[15-a]pyrimidin-2-yl]piperazine

SMILES

O=S(c(cccc1)c1F)(N(CC1)CCN1c1nn2c(-c3cccs3)ccnc2n1)=O

InChI

InChI=1S/C19H17FN6O2S2/c20-14-4-1-2-6-17(14)30(27,28)25-11-9-24(10-12-25)19-22-18-21-8-7-15(26(18)23-19)16-5-3-13-29-16/h1-8,13H,9-12H2

InChI Key

SFQCKFBZSZQORE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955234

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.901

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.18

Polar Surface Area

65.130

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

V004-4583 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-4583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4583?
Check Price and Availability of V004-4583, 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 V004-4583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4583
  • 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 V004-4583 available by request