8009-9867 Screening compound: 6-(difluoromethyl)-4-isobutyl-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)nicotinic thioanhydride

8009-9867 Screening compound: 6-(difluoromethyl)-4-isobutyl-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)nicotinic thioanhydride
8009-9867 Screening compound: 6-(difluoromethyl)-4-isobutyl-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)nicotinic thioanhydride alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9867
6-(difluoromethyl)-4-isobutyl-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)nicotinic thioanhydride

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

8009-9867

Molecular Formula

C28H26F10N2O4S3 (C28 H26 F10 N2 O4 S3)

Compound Name

6-(difluoromethyl)-4-isobutyl-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)nicotinic thioanhydride

IUPAC name

[6-(difluoromethyl)-4-(2-methylpropyl)-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)pyridin-3-yl][6-(difluoromethyl)-4-(2-methylpropyl)-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)pyridine-3-carbonylsulfanyl]methanone

SMILES

CC(C)Cc1c(C(SC)=O)c(C(F)F)nc(C(F)(F)F)c1C(SC(c1c(C(F)(F)F)nc(C(F)F)c(C(SC)=O)c1CC(C)C)=O)=O

InChI

InChI=1S/C28H26F10N2O4S3/c1-9(2)7-11-13(23(41)45-5)17(21(29)30)39-19(27(33,34)35)15(11)25(43)47-26(44)16-12(8-10(3)4)14(24(42)46-6)18(22(31)32)40-20(16)28(36,37)38/h9-10,21-22H,7-8H2,1-6H3

InChI Key

YOOUQCIEMPIVSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

740.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.447

Distribution Coefficient, logD

8.447

Water Solubility, LogSw

-5.91

Polar Surface Area

73.368

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8009-9867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9867?
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What is the minimum amount of 8009-9867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9867
  • 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 8009-9867 available by request