8004-1789 Screening compound: 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-methylpentanoic acid

8004-1789 Screening compound: 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-methylpentanoic acid
8004-1789 Screening compound: 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1789
2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-methylpentanoic acid

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

8004-1789

Molecular Formula

C10H12F7NO3 (C10 H12 F7 NO3)

Compound Name

2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-methylpentanoic acid

IUPAC name

2-(2233444-heptafluorobutanamido)-4-methylpentanoic acid

SMILES

CC(C)CC(C(O)=O)NC(C(C(C(F)(F)F)(F)F)(F)F)=O

InChI

InChI=1S/C10H12F7NO3/c1-4(2)3-5(6(19)20)18-7(21)8(11,12)9(13,14)10(15,16)17/h4-5H,3H2,1-2H3,(H,18,21)(H,19,20)/t5-/m0/s1

InChI Key

XOMHVLOQFFOXKX-YFKPBYRVSA-N

MDL Number (MFCD)

MFCD00413298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.027

Distribution Coefficient, logD

-1.590

Water Solubility, LogSw

-2.11

Polar Surface Area

53.233

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

8004-1789 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8004-1789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1789?
Check Price and Availability of 8004-1789, 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 8004-1789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1789
  • 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 8004-1789 available by request