F512-0638 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide

F512-0638 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
F512-0638 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F512-0638
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide

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

F512-0638

Molecular Formula

C21H20FN3O5 (C21 H20 FN3 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{4-[(4-fluorophenyl)methyl]-23-dioxopiperazin-1-yl}acetamide

SMILES

O=C(CN(CCN(Cc(cc1)ccc1F)C1=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H20FN3O5/c22-16-4-1-14(2-5-16)11-24-7-8-25(21(28)20(24)27)12-19(26)23-10-15-3-6-17-18(9-15)30-13-29-17/h1-6,9H,7-8,10-13H2,(H,23,26)

InChI Key

ZRSBCJIIWGGIKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.361

Distribution Coefficient, logD

1.361

Water Solubility, LogSw

-2.27

Polar Surface Area

74.870

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F512-0638 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)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F512-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F512-0638?
Check Price and Availability of F512-0638, 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 F512-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F512-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F512-0638
  • 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 F512-0638 available by request