F235-1970 Screening compound: methyl 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

F235-1970 Screening compound: methyl 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
F235-1970 Screening compound: methyl 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1970
methyl 2-{[4-phenyl-5-(pyridin-3-yl)-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

F235-1970

Molecular Formula

C16H14N4O2S (C16 H14 N4 O2 S)

Compound Name

methyl 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[4-phenyl-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

COC(CSc1nnc(-c2cnccc2)n1-c1ccccc1)=O

InChI

InChI=1S/C16H14N4O2S/c1-22-14(21)11-23-16-19-18-15(12-6-5-9-17-10-12)20(16)13-7-3-2-4-8-13/h2-10H,11H2,1H3

InChI Key

BPBSBPYNAQSNKG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.805

Distribution Coefficient, logD

1.801

Water Solubility, LogSw

-1.57

Polar Surface Area

55.081

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with F235-1970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1970?
Check Price and Availability of F235-1970, 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 F235-1970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1970
  • 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 F235-1970 available by request