V030-1410 Screening compound: 1-[3-({[4-(2-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

V030-1410 Screening compound: 1-[3-({[4-(2-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine
V030-1410 Screening compound: 1-[3-({[4-(2-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1410
1-[3-({[4-(2-fluorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

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

V030-1410

Molecular Formula

C28H28FN5OS (C28 H28 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(n1-c(cccc2)c2F)nnc1SCc1cc(C(N2CCN(C)CC2)=O)ccc1

InChI

InChI=1S/C28H28FN5OS/c1-20-10-12-22(13-11-20)26-30-31-28(34(26)25-9-4-3-8-24(25)29)36-19-21-6-5-7-23(18-21)27(35)33-16-14-32(2)15-17-33/h3-13,18H,14-17,19H2,1-2H3

InChI Key

WHTPUUCJPYRYHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633844

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.38

Polar Surface Area

44.536

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V030-1410 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with V030-1410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1410?
Check Price and Availability of V030-1410, 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 V030-1410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1410
  • 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 V030-1410 available by request