V014-9697 Screening compound: 1-[4-({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

V014-9697 Screening compound: 1-[4-({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine
V014-9697 Screening compound: 1-[4-({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9697
1-[4-({[4-ethyl-5-(pyridin-4-yl)-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

V014-9697

Molecular Formula

C22H26N6OS (C22 H26 N6 OS)

Compound Name

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

IUPAC name

1-[4-({[4-ethyl-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

SMILES

CCn1c(SCc(cc2)ccc2C(N2CCN(C)CC2)=O)nnc1-c1ccncc1

InChI

InChI=1S/C22H26N6OS/c1-3-28-20(18-8-10-23-11-9-18)24-25-22(28)30-16-17-4-6-19(7-5-17)21(29)27-14-12-26(2)13-15-27/h4-11H,3,12-16H2,1-2H3

InChI Key

FUJLPXXJNJUBAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782745

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.635

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-1.87

Polar Surface Area

53.519

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V014-9697 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V014-9697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9697?
Check Price and Availability of V014-9697, 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 V014-9697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9697
  • 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 V014-9697 available by request