V009-8817 Screening compound: 5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one

V009-8817 Screening compound: 5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one
V009-8817 Screening compound: 5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8817
5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one

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

V009-8817

Molecular Formula

C30H39N5O2S (C30 H39 N5 O2 S)

Compound Name

5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one

IUPAC name

5-[(5-benzyl-4-phenyl-4H-124-triazol-3-yl)sulfanyl]-1-[4-(22-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one

SMILES

CC(CN(CC1)C(CCCCSc2nnc(Cc3ccccc3)n2-c2ccccc2)=O)N1C(C(C)(C)C)=O

InChI

InChI=1S/C30H39N5O2S/c1-23-22-33(18-19-34(23)28(37)30(2,3)4)27(36)17-11-12-20-38-29-32-31-26(21-24-13-7-5-8-14-24)35(29)25-15-9-6-10-16-25/h5-10,13-16,23H,11-12,17-22H2,1-4H3/t23-/m0/s1

InChI Key

IVFBDBIOLLGEHT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19717132

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.40

Polar Surface Area

58.027

Acid Dissociation Constant (pKa)

24.17

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

V009-8817 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V009-8817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8817?
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What is the minimum amount of V009-8817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8817
  • 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 V009-8817 available by request