V006-7699 Screening compound: 1-[4-({[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

V006-7699 Screening compound: 1-[4-({[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine
V006-7699 Screening compound: 1-[4-({[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-7699
1-[4-({[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

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

V006-7699

Molecular Formula

C29H30FN5OS (C29 H30 FN5 OS)

Compound Name

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

IUPAC name

1-[4-({[5-benzyl-4-(4-fluorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

SMILES

CCN(CC1)CCN1C(c1ccc(CSc2nnc(Cc3ccccc3)n2-c(cc2)ccc2F)cc1)=O

InChI

InChI=1S/C29H30FN5OS/c1-2-33-16-18-34(19-17-33)28(36)24-10-8-23(9-11-24)21-37-29-32-31-27(20-22-6-4-3-5-7-22)35(29)26-14-12-25(30)13-15-26/h3-15H,2,16-21H2,1H3

InChI Key

GCPTUXQKWFDJFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791918

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.89

Polar Surface Area

45.874

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

V006-7699 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-7699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-7699?
Check Price and Availability of V006-7699, 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 V006-7699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-7699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-7699
  • 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 V006-7699 available by request