V029-7997 Screening compound: 1-[2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

V029-7997 Screening compound: 1-[2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine
V029-7997 Screening compound: 1-[2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7997
1-[2-({[5-benzyl-4-(2-methylphenyl)-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

V029-7997

Molecular Formula

C30H33N5OS (C30 H33 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(c1c(CSc2nnc(Cc3ccccc3)n2-c2c(C)cccc2)cccc1)=O

InChI

InChI=1S/C30H33N5OS/c1-3-33-17-19-34(20-18-33)29(36)26-15-9-8-14-25(26)22-37-30-32-31-28(21-24-12-5-4-6-13-24)35(30)27-16-10-7-11-23(27)2/h4-16H,3,17-22H2,1-2H3

InChI Key

NPKZESZNNBIVSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633412

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.69

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

4.814

Distribution Coefficient, logD

4.638

Water Solubility, LogSw

-4.60

Polar Surface Area

45.573

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V029-7997 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-7997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7997?
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What is the minimum amount of V029-7997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7997
  • 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 V029-7997 available by request