V029-5014 Screening compound: 1-[4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

V029-5014 Screening compound: 1-[4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine
V029-5014 Screening compound: 1-[4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5014
1-[4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-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

V029-5014

Molecular Formula

C25H30ClN5O2S (C25 H30 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(c1ccc(CSc2nnc(-c(cccc3)c3Cl)n2CCOC)cc1)=O

InChI

InChI=1S/C25H30ClN5O2S/c1-3-29-12-14-30(15-13-29)24(32)20-10-8-19(9-11-20)18-34-25-28-27-23(31(25)16-17-33-2)21-6-4-5-7-22(21)26/h4-11H,3,12-18H2,1-2H3

InChI Key

IFDNTHIMOXQAQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633157

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

2.858

Water Solubility, LogSw

-3.71

Polar Surface Area

52.747

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V029-5014 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V029-5014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5014?
Check Price and Availability of V029-5014, 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 V029-5014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5014
  • 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 V029-5014 available by request