8016-6708 Screening compound: N-(2,4-difluorophenyl)-2-{[1-(2-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide

8016-6708 Screening compound: N-(2,4-difluorophenyl)-2-{[1-(2-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide
8016-6708 Screening compound: N-(2,4-difluorophenyl)-2-{[1-(2-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6708
N-(2,4-difluorophenyl)-2-{[1-(2-fluorophenyl)-1H-1,2,3,4-tetrazol-5-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

8016-6708

Molecular Formula

C15H10F3N5OS (C15 H10 F3 N5 OS)

Compound Name

N-(2,4-difluorophenyl)-2-{[1-(2-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide

IUPAC name

N-(24-difluorophenyl)-2-{[1-(2-fluorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nnnn1-c(cccc1)c1F)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C15H10F3N5OS/c16-9-5-6-12(11(18)7-9)19-14(24)8-25-15-20-21-22-23(15)13-4-2-1-3-10(13)17/h1-7H,8H2,(H,19,24)

InChI Key

PYTJDOAISRIFLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.31

Polar Surface Area

62.039

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8016-6708 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-6708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6708?
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What is the minimum amount of 8016-6708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6708
  • 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 8016-6708 available by request