3688-0207 Screening compound: 2-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]-3-phenylpropanoic acid

3688-0207 Screening compound: 2-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]-3-phenylpropanoic acid
3688-0207 Screening compound: 2-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3688-0207
2-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]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

3688-0207

Molecular Formula

C23H19BrN2O5 (C23 H19 BrN2 O5)

Compound Name

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

IUPAC name

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

SMILES

OC(C(Cc1ccccc1)NC(/C(/NC(c1ccco1)=O)=C/c1cccc(Br)c1)=O)=O

InChI

InChI=1S/C23H19BrN2O5/c24-17-9-4-8-16(12-17)14-18(25-22(28)20-10-5-11-31-20)21(27)26-19(23(29)30)13-15-6-2-1-3-7-15/h1-12,14,19H,13H2,(H,25,28)(H,26,27)(H,29,30)/t19-/m0/s1

InChI Key

ACIDMQZXZZBSFA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02643784

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

2.706

Distribution Coefficient, logD

-0.633

Water Solubility, LogSw

-3.10

Polar Surface Area

83.193

Acid Dissociation Constant (pKa)

4.06

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

3688-0207 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 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
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3688-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3688-0207?
Check Price and Availability of 3688-0207, 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 3688-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3688-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3688-0207
  • 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 3688-0207 available by request