4295-0496 Screening compound: N-[(1Z)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

4295-0496 Screening compound: N-[(1Z)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
4295-0496 Screening compound: N-[(1Z)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4295-0496
N-[(1Z)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

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

4295-0496

Molecular Formula

C26H26FN3O3 (C26 H26 FN3 O3)

Compound Name

N-[(1Z)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

IUPAC name

N-[(1Z)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-34-dimethylbenzamide

SMILES

Cc(cc1)c(C)cc1C(N/C(/C(N(CC1)CCN1c(cccc1)c1F)=O)=C\c1ccco1)=O

InChI

InChI=1S/C26H26FN3O3/c1-18-9-10-20(16-19(18)2)25(31)28-23(17-21-6-5-15-33-21)26(32)30-13-11-29(12-14-30)24-8-4-3-7-22(24)27/h3-10,15-17H,11-14H2,1-2H3,(H,28,31)

InChI Key

JTBUMMDRMPWUFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02319441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.675

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-4.35

Polar Surface Area

49.519

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4295-0496 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4295-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4295-0496?
Check Price and Availability of 4295-0496, 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 4295-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4295-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4295-0496
  • 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 4295-0496 available by request