1732-0096 Screening compound: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide

1732-0096 Screening compound: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide
1732-0096 Screening compound: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1732-0096
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide

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

1732-0096

Molecular Formula

C18H12F17NO4 (C18 H12 F17 NO4)

Compound Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide

IUPAC name

22334455667788999-heptadecafluoro-N-(345-trimethoxyphenyl)nonanamide

SMILES

COc1cc(NC(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)=O)cc(OC)c1OC

InChI

InChI=1S/C18H12F17NO4/c1-38-7-4-6(5-8(39-2)9(7)40-3)36-10(37)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h4-5H,1-3H3,(H,36,37)

InChI Key

WVCJQGWSGGJZLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00541535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.678

Distribution Coefficient, logD

5.392

Water Solubility, LogSw

-5.46

Polar Surface Area

46.579

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with 1732-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1732-0096?
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What is the minimum amount of 1732-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1732-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1732-0096
  • 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 1732-0096 available by request