V011-6299 Screening compound: tert-butyl 2-{[4-(2-fluorophenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

V011-6299 Screening compound: tert-butyl 2-{[4-(2-fluorophenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
V011-6299 Screening compound: tert-butyl 2-{[4-(2-fluorophenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6299
tert-butyl 2-{[4-(2-fluorophenyl)-5-(3-pyridyl)-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

V011-6299

Molecular Formula

C19H19FN4O2S (C19 H19 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)OC(CSc1nnc(-c2cnccc2)n1-c(cccc1)c1F)=O

InChI

InChI=1S/C19H19FN4O2S/c1-19(2,3)26-16(25)12-27-18-23-22-17(13-7-6-10-21-11-13)24(18)15-9-5-4-8-14(15)20/h4-11H,12H2,1-3H3

InChI Key

FBJIPIFXWSOUAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05405164

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.392

Water Solubility, LogSw

-3.65

Polar Surface Area

53.469

Acid Dissociation Constant (pKa)

20.73

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with V011-6299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6299?
Check Price and Availability of V011-6299, 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 V011-6299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6299
  • 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 V011-6299 available by request