V007-6519 Screening compound: 5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-chloroacetyl)-3-methylpiperazin-1-yl]pentan-1-one

V007-6519 Screening compound: 5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-chloroacetyl)-3-methylpiperazin-1-yl]pentan-1-one
V007-6519 Screening compound: 5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-chloroacetyl)-3-methylpiperazin-1-yl]pentan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-6519
5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-chloroacetyl)-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

V007-6519

Molecular Formula

C27H32ClN5O2S (C27 H32 ClN5 O2 S)

Compound Name

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

IUPAC name

5-[(5-benzyl-4-phenyl-4H-124-triazol-3-yl)sulfanyl]-1-[4-(2-chloroacetyl)-3-methylpiperazin-1-yl]pentan-1-one

SMILES

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

InChI

InChI=1S/C27H32ClN5O2S/c1-21-20-31(15-16-32(21)26(35)19-28)25(34)14-8-9-17-36-27-30-29-24(18-22-10-4-2-5-11-22)33(27)23-12-6-3-7-13-23/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m0/s1

InChI Key

RMMYSSZROMWMOU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19714469

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.1

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

3.459

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-3.74

Polar Surface Area

57.500

Acid Dissociation Constant (pKa)

22.54

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

V007-6519 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V007-6519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-6519?
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What is the minimum amount of V007-6519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-6519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-6519
  • 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 V007-6519 available by request