2556-0789 Screening compound: (2E)-3-[5-(4-bromophenyl)furan-2-yl]-N-[(furan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide

2556-0789 Screening compound: (2E)-3-[5-(4-bromophenyl)furan-2-yl]-N-[(furan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide
2556-0789 Screening compound: (2E)-3-[5-(4-bromophenyl)furan-2-yl]-N-[(furan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2556-0789
(2E)-3-[5-(4-bromophenyl)furan-2-yl]-N-[(furan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide

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

2556-0789

Molecular Formula

C25H19BrN2O4 (C25 H19 BrN2 O4)

Compound Name

(2E)-3-[5-(4-bromophenyl)furan-2-yl]-N-[(furan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide

IUPAC name

(2E)-3-[5-(4-bromophenyl)furan-2-yl]-N-[(furan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C\c1ccc(-c(cc2)ccc2Br)o1)NCc1ccco1

InChI

InChI=1S/C25H19BrN2O4/c26-19-10-8-17(9-11-19)23-13-12-20(32-23)15-22(25(30)27-16-21-7-4-14-31-21)28-24(29)18-5-2-1-3-6-18/h1-15H,16H2,(H,27,30)(H,28,29)

InChI Key

YHTWPFPVSOTPCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01458653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.729

Distribution Coefficient, logD

5.558

Water Solubility, LogSw

-6.07

Polar Surface Area

61.895

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

2556-0789 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2556-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2556-0789?
Check Price and Availability of 2556-0789, 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 2556-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2556-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2556-0789
  • 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 2556-0789 available by request