8002-9776 Screening compound: N-{3-bromo-5-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]phenyl}-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

8002-9776 Screening compound: N-{3-bromo-5-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]phenyl}-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
8002-9776 Screening compound: N-{3-bromo-5-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]phenyl}-2,2,3,3,4,4,5,5,5-nonafluoropentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9776
N-{3-bromo-5-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]phenyl}-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

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

8002-9776

Molecular Formula

C16H5BrF18N2O2 (C16 H5 BrF18 N2 O2)

Compound Name

N-{3-bromo-5-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]phenyl}-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

IUPAC name

N-[3-bromo-5-(223344555-nonafluoropentanamido)phenyl]-223344555-nonafluoropentanamide

SMILES

O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Nc1cc(Br)cc(NC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)=O)c1

InChI

InChI=1S/C16H5BrF18N2O2/c17-4-1-5(36-7(38)9(18,19)11(22,23)13(26,27)15(30,31)32)3-6(2-4)37-8(39)10(20,21)12(24,25)14(28,29)16(33,34)35/h1-3H,(H,36,38)(H,37,39)

InChI Key

PZNTVYUSIGARHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00310351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

679.1

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.544

Distribution Coefficient, logD

7.505

Water Solubility, LogSw

-6.10

Polar Surface Area

46.964

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8002-9776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9776?
Check Price and Availability of 8002-9776, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-9776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9776
  • 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 8002-9776 available by request