3688-0199 Screening compound: 4-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoic acid

3688-0199 Screening compound: 4-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoic acid
3688-0199 Screening compound: 4-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3688-0199
4-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoic 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

3688-0199

Molecular Formula

C21H15BrN2O5 (C21 H15 BrN2 O5)

Compound Name

4-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoic acid

IUPAC name

4-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoic acid

SMILES

OC(c(cc1)ccc1NC(/C(/NC(c1ccco1)=O)=C/c1cccc(Br)c1)=O)=O

InChI

InChI=1S/C21H15BrN2O5/c22-15-4-1-3-13(11-15)12-17(24-20(26)18-5-2-10-29-18)19(25)23-16-8-6-14(7-9-16)21(27)28/h1-12H,(H,23,25)(H,24,26)(H,27,28)

InChI Key

CAZLRURXQLUBED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-4.32

Polar Surface Area

82.241

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3688-0199 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3688-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3688-0199?
Check Price and Availability of 3688-0199, 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 3688-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3688-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3688-0199
  • 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 3688-0199 available by request