V003-6120 Screening compound: 2-({[4-benzyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-isobutylbenzamide

V003-6120 Screening compound: 2-({[4-benzyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-isobutylbenzamide
V003-6120 Screening compound: 2-({[4-benzyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-isobutylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6120
2-({[4-benzyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-isobutylbenzamide

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

V003-6120

Molecular Formula

C25H26N4O2S (C25 H26 N4 O2 S)

Compound Name

2-({[4-benzyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-isobutylbenzamide

IUPAC name

n/a

SMILES

CC(C)CNC(c1c(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cccc1)=O

InChI

InChI=1S/C25H26N4O2S/c1-18(2)15-26-24(30)21-12-7-6-11-20(21)17-32-25-28-27-23(22-13-8-14-31-22)29(25)16-19-9-4-3-5-10-19/h3-14,18H,15-17H2,1-2H3,(H,26,30)

InChI Key

YDIWELQLSBRNBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27625696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.156

Distribution Coefficient, logD

5.156

Water Solubility, LogSw

-4.98

Polar Surface Area

57.232

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V003-6120 in Drug Discovery

Included in Screening Libraries

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 V003-6120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6120?
Check Price and Availability of V003-6120, 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 V003-6120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6120
  • 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 V003-6120 available by request