F512-0849 Screening compound: 2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-(2-methoxy-5-methylphenyl)butanamide

F512-0849 Screening compound: 2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-(2-methoxy-5-methylphenyl)butanamide
F512-0849 Screening compound: 2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-(2-methoxy-5-methylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F512-0849
2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-(2-methoxy-5-methylphenyl)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

F512-0849

Molecular Formula

C23H26FN3O4 (C23 H26 FN3 O4)

Compound Name

2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}-N-(2-methoxy-5-methylphenyl)butanamide

IUPAC name

2-{4-[(4-fluorophenyl)methyl]-23-dioxopiperazin-1-yl}-N-(2-methoxy-5-methylphenyl)butanamide

SMILES

CCC(C(Nc(cc(C)cc1)c1OC)=O)N(CCN(Cc(cc1)ccc1F)C1=O)C1=O

InChI

InChI=1S/C23H26FN3O4/c1-4-19(21(28)25-18-13-15(2)5-10-20(18)31-3)27-12-11-26(22(29)23(27)30)14-16-6-8-17(24)9-7-16/h5-10,13,19H,4,11-12,14H2,1-3H3,(H,25,28)/t19-/m0/s1

InChI Key

KQNDAVLXTXUQRF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27170742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-2.95

Polar Surface Area

62.670

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

F512-0849 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F512-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F512-0849?
Check Price and Availability of F512-0849, 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 F512-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F512-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F512-0849
  • 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 F512-0849 available by request