V029-8030 Screening compound: 1-ethyl-4-[2-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

V029-8030 Screening compound: 1-ethyl-4-[2-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine
V029-8030 Screening compound: 1-ethyl-4-[2-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8030
1-ethyl-4-[2-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]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

V029-8030

Molecular Formula

C26H26FN5O2S (C26 H26 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(c1c(CSc2nnc(-c3ccco3)n2-c(cc2)ccc2F)cccc1)=O

InChI

InChI=1S/C26H26FN5O2S/c1-2-30-13-15-31(16-14-30)25(33)22-7-4-3-6-19(22)18-35-26-29-28-24(23-8-5-17-34-23)32(26)21-11-9-20(27)10-12-21/h3-12,17H,2,13-16,18H2,1H3

InChI Key

KFPCYUUKRKZEHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633445

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-3.79

Polar Surface Area

53.476

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with V029-8030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8030?
Check Price and Availability of V029-8030, 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 V029-8030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8030
  • 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 V029-8030 available by request