V029-8000 Screening compound: 1-ethyl-4-[2-({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

V029-8000 Screening compound: 1-ethyl-4-[2-({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine
V029-8000 Screening compound: 1-ethyl-4-[2-({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8000
1-ethyl-4-[2-({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

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

V029-8000

Molecular Formula

C27H29N5O2S2 (C27 H29 N5 O2 S2)

Compound Name

1-ethyl-4-[2-({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

IUPAC name

1-ethyl-4-[2-({[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

SMILES

CCN(CC1)CCN1C(c1c(CSc2nnc(-c3cccs3)n2-c(cc2)ccc2OC)cccc1)=O

InChI

InChI=1S/C27H29N5O2S2/c1-3-30-14-16-31(17-15-30)26(33)23-8-5-4-7-20(23)19-36-27-29-28-25(24-9-6-18-35-24)32(27)21-10-12-22(34-2)13-11-21/h4-13,18H,3,14-17,19H2,1-2H3

InChI Key

MHNPAPAXGAMQEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633415

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.24

Polar Surface Area

53.460

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V029-8000 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V029-8000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8000?
Check Price and Availability of V029-8000, 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 V029-8000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8000
  • 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 V029-8000 available by request