V001-4829 Screening compound: 2-{[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

V001-4829 Screening compound: 2-{[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
V001-4829 Screening compound: 2-{[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4829
2-{[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

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

V001-4829

Molecular Formula

C22H26N4O2S (C22 H26 N4 O2 S)

Compound Name

2-{[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

IUPAC name

2-{[5-benzyl-4-(2-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-NN-diethylacetamide

SMILES

CCN(CC)C(CSc1nnc(Cc2ccccc2)n1-c(cccc1)c1OC)=O

InChI

InChI=1S/C22H26N4O2S/c1-4-25(5-2)21(27)16-29-22-24-23-20(15-17-11-7-6-8-12-17)26(22)18-13-9-10-14-19(18)28-3/h6-14H,4-5,15-16H2,1-3H3

InChI Key

UQPCUMLZIGUFNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715838

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.66

Polar Surface Area

48.694

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V001-4829 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V001-4829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4829?
Check Price and Availability of V001-4829, 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 V001-4829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4829
  • 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 V001-4829 available by request