V030-6924 Screening compound: 1-[3-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-(2-fluorophenyl)piperazine

V030-6924 Screening compound: 1-[3-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-(2-fluorophenyl)piperazine
V030-6924 Screening compound: 1-[3-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6924
1-[3-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-(2-fluorophenyl)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

V030-6924

Molecular Formula

C26H26FN5OS2 (C26 H26 FN5 OS2)

Compound Name

1-[3-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-(2-fluorophenyl)piperazine

IUPAC name

1-[3-({[4-ethyl-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-(2-fluorophenyl)piperazine

SMILES

CCn1c(SCc2cc(C(N(CC3)CCN3c(cccc3)c3F)=O)ccc2)nnc1-c1cccs1

InChI

InChI=1S/C26H26FN5OS2/c1-2-32-24(23-11-6-16-34-23)28-29-26(32)35-18-19-7-5-8-20(17-19)25(33)31-14-12-30(13-15-31)22-10-4-3-9-21(22)27/h3-11,16-17H,2,12-15,18H2,1H3

InChI Key

PGEAHVITMBIXPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27634023

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.808

Distribution Coefficient, logD

4.807

Water Solubility, LogSw

-4.63

Polar Surface Area

44.592

Acid Dissociation Constant (pKa)

20.37

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V030-6924 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V030-6924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6924?
Check Price and Availability of V030-6924, 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 V030-6924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6924
  • 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 V030-6924 available by request