F512-0738 Screening compound: 2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]butanamide

F512-0738 Screening compound: 2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]butanamide
F512-0738 Screening compound: 2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F512-0738
2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]butanamide

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

F512-0738

Molecular Formula

C22H21F4N3O3 (C22 H21 F4 N3 O3)

Compound Name

2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]butanamide

IUPAC name

2-{4-[(4-fluorophenyl)methyl]-23-dioxopiperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]butanamide

SMILES

CCC(C(Nc1cc(C(F)(F)F)ccc1)=O)N(CCN(Cc(cc1)ccc1F)C1=O)C1=O

InChI

InChI=1S/C22H21F4N3O3/c1-2-18(19(30)27-17-5-3-4-15(12-17)22(24,25)26)29-11-10-28(20(31)21(29)32)13-14-6-8-16(23)9-7-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,27,30)/t18-/m0/s1

InChI Key

HPKRZIUXIALZJG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27170689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-3.78

Polar Surface Area

55.737

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

F512-0738 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F512-0738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F512-0738?
Check Price and Availability of F512-0738, 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 F512-0738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F512-0738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F512-0738
  • 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 F512-0738 available by request