8011-8841 Screening compound: 3-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)oxy]-5-{[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy}aniline

8011-8841 Screening compound: 3-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)oxy]-5-{[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy}aniline
8011-8841 Screening compound: 3-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)oxy]-5-{[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8841
3-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)oxy]-5-{[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy}aniline

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

8011-8841

Molecular Formula

C24H5F36NO2 (C24 H5 F36 NO2)

Compound Name

3-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)oxy]-5-{[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy}aniline

IUPAC name

3-{[1114555-heptafluoro-3-(1112333-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy}-5-[(1122334455667788999-nonadecafluorononyl)oxy]aniline

SMILES

Nc1cc(OC(C(F)(F)F)=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)cc(OC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1

InChI

InChI=1S/C24H5F36NO2/c25-9(19(44,45)46,20(47,48)49)7(10(26,21(50,51)52)22(53,54)55)8(11(27,28)29)62-5-1-4(61)2-6(3-5)63-24(59,60)18(42,43)16(38,39)14(34,35)12(30,31)13(32,33)15(36,37)17(40,41)23(56,57)58/h1-3H,61H2

InChI Key

UHHKEQMOYSHCIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

1023.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

11.874

Distribution Coefficient, logD

11.874

Water Solubility, LogSw

-6.30

Polar Surface Area

33.720

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

8011-8841 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8011-8841 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8841
  • 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 8011-8841 available by request