1732-0084 Screening compound: N-(3-chloro-4-fluorophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide

1732-0084 Screening compound: N-(3-chloro-4-fluorophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
1732-0084 Screening compound: N-(3-chloro-4-fluorophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1732-0084
N-(3-chloro-4-fluorophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide

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

1732-0084

Molecular Formula

C15H4ClF18NO (C15 H4 ClF18 NO)

Compound Name

N-(3-chloro-4-fluorophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-22334455667788999-heptadecafluorononanamide

SMILES

O=C(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)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C15H4ClF18NO/c16-5-3-4(1-2-6(5)17)35-7(36)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)34/h1-3H,(H,35,36)

InChI Key

BNNQVCGYIKNELI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00541527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.63

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.028

Distribution Coefficient, logD

5.645

Water Solubility, LogSw

-6.85

Polar Surface Area

23.601

Acid Dissociation Constant (pKa)

6.04

Base Dissociation Constant (pKb)

-6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

1732-0084 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1732-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1732-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1732-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1732-0084
  • 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 1732-0084 available by request