V008-8782 Screening compound: ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

V008-8782 Screening compound: ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
V008-8782 Screening compound: ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8782
ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

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

V008-8782

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-{[5-benzyl-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}propanoate

SMILES

CCOC(C(C)Sc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1)=O

InChI

InChI=1S/C21H23N3O2S/c1-4-26-20(25)16(3)27-21-23-22-19(14-17-8-6-5-7-9-17)24(21)18-12-10-15(2)11-13-18/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1

InChI Key

NXYDIALCCIVCIP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19844044

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-4.39

Polar Surface Area

46.714

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

V008-8782 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 V008-8782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8782?
Check Price and Availability of V008-8782, 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 V008-8782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8782
  • 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 V008-8782 available by request