V014-7802 Screening compound: N,N-diethyl-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

V014-7802 Screening compound: N,N-diethyl-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
V014-7802 Screening compound: N,N-diethyl-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-7802
N,N-diethyl-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

V014-7802

Molecular Formula

C20H21FN4OS (C20 H21 FN4 OS)

Compound Name

N,N-diethyl-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

NN-diethyl-2-{[5-(2-fluorophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CCN(CC)C(CSc1nnc(-c(cccc2)c2F)n1-c1ccccc1)=O

InChI

InChI=1S/C20H21FN4OS/c1-3-24(4-2)18(26)14-27-20-23-22-19(16-12-8-9-13-17(16)21)25(20)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3

InChI Key

OFLKRDNOIXWKBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05665090

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.581

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.76

Polar Surface Area

40.389

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V014-7802 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V014-7802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-7802?
Check Price and Availability of V014-7802, 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 V014-7802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-7802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-7802
  • 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 V014-7802 available by request