V003-4011 Screening compound: N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)-2-methylpropanamide

V003-4011 Screening compound: N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)-2-methylpropanamide
V003-4011 Screening compound: N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4011
N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)-2-methylpropanamide

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

V003-4011

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)-2-methylpropanamide

IUPAC name

N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-(thiophen-2-yl)-1H-124-triazol-1-yl}phenyl)-2-methylpropanamide

SMILES

CC(C)C(Nc1cccc(-n(c(-c2cccs2)n2)nc2OCCc(cc2)ccc2OC)c1)=O

InChI

InChI=1S/C25H26N4O3S/c1-17(2)24(30)26-19-6-4-7-20(16-19)29-23(22-8-5-15-33-22)27-25(28-29)32-14-13-18-9-11-21(31-3)12-10-18/h4-12,15-17H,13-14H2,1-3H3,(H,26,30)

InChI Key

OSMRBXRKRXFTRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19780994

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.902

Distribution Coefficient, logD

5.902

Water Solubility, LogSw

-5.42

Polar Surface Area

62.761

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V003-4011 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-4011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4011?
Check Price and Availability of V003-4011, 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 V003-4011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4011
  • 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 V003-4011 available by request