4391-0251 Screening compound: 2-[(2E)-2-[(2-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-3-phenylpropanoic acid

4391-0251 Screening compound: 2-[(2E)-2-[(2-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-3-phenylpropanoic acid
4391-0251 Screening compound: 2-[(2E)-2-[(2-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4391-0251
2-[(2E)-2-[(2-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-3-phenylpropanoic acid

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

4391-0251

Molecular Formula

C23H19BrN2O5 (C23 H19 BrN2 O5)

Compound Name

2-[(2E)-2-[(2-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-3-phenylpropanoic acid

IUPAC name

2-[(2E)-2-[(2-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-3-phenylpropanoic acid

SMILES

OC(C(Cc1ccccc1)NC(/C(/NC(c(cccc1)c1Br)=O)=C\c1ccco1)=O)=O

InChI

InChI=1S/C23H19BrN2O5/c24-18-11-5-4-10-17(18)21(27)25-19(14-16-9-6-12-31-16)22(28)26-20(23(29)30)13-15-7-2-1-3-8-15/h1-12,14,20H,13H2,(H,25,27)(H,26,28)(H,29,30)/t20-/m0/s1

InChI Key

ZUEXLARNEGCILM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03447460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

-1.130

Water Solubility, LogSw

-3.10

Polar Surface Area

82.364

Acid Dissociation Constant (pKa)

4.06

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

4391-0251 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4391-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4391-0251?
Check Price and Availability of 4391-0251, 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 4391-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4391-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4391-0251
  • 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 4391-0251 available by request