8020-9118 Screening compound: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N~1~-[3,5-bis(trifluoromethyl)phenyl]acetamide

8020-9118 Screening compound: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N~1~-[3,5-bis(trifluoromethyl)phenyl]acetamide
8020-9118 Screening compound: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N~1~-[3,5-bis(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-9118
2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N~1~-[3,5-bis(trifluoromethyl)phenyl]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

8020-9118

Molecular Formula

C17H9F6N5OS (C17 H9 F6 N5 OS)

Compound Name

2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N~1~-[3,5-bis(trifluoromethyl)phenyl]acetamide

IUPAC name

n/a

SMILES

Nc(nc(c(C#N)c1)SCC(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=O)c1C#N

InChI

InChI=1S/C17H9F6N5OS/c18-16(19,20)10-2-11(17(21,22)23)4-12(3-10)27-13(29)7-30-15-9(6-25)1-8(5-24)14(26)28-15/h1-4H,7H2,(H2,26,28)(H,27,29)

InChI Key

LZHUOLZZDUZCBC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.43

Polar Surface Area

86.673

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 8020-9118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-9118?
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What is the minimum amount of 8020-9118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-9118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-9118
  • 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 8020-9118 available by request