V008-4408 Screening compound: tert-butyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

V008-4408 Screening compound: tert-butyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
V008-4408 Screening compound: tert-butyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4408
tert-butyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

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

V008-4408

Molecular Formula

C22H25N3O2S (C22 H25 N3 O2 S)

Compound Name

tert-butyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

tert-butyl 2-{[5-benzyl-4-(3-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

CC(C)(C)OC(CSc1nnc(Cc2ccccc2)n1-c1cc(C)ccc1)=O

InChI

InChI=1S/C22H25N3O2S/c1-16-9-8-12-18(13-16)25-19(14-17-10-6-5-7-11-17)23-24-21(25)28-15-20(26)27-22(2,3)4/h5-13H,14-15H2,1-4H3

InChI Key

DGTKZWGADVZBTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772137

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

395.53

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

5.024

Distribution Coefficient, logD

5.024

Water Solubility, LogSw

-4.81

Polar Surface Area

45.228

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V008-4408 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 V008-4408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4408?
Check Price and Availability of V008-4408, 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 V008-4408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4408
  • 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 V008-4408 available by request