3688-0208 Screening compound: 2-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]-4-(methylsulfanyl)butanoic acid

3688-0208 Screening compound: 2-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]-4-(methylsulfanyl)butanoic acid
3688-0208 Screening compound: 2-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3688-0208
2-[(2Z)-3-(3-bromophenyl)-2-[(furan-2-yl)formamido]prop-2-enamido]-4-(methylsulfanyl)butanoic 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

3688-0208

Molecular Formula

C19H19BrN2O5S (C19 H19 BrN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CSCCC(C(O)=O)NC(/C(/NC(c1ccco1)=O)=C/c1cccc(Br)c1)=O

InChI

InChI=1S/C19H19BrN2O5S/c1-28-9-7-14(19(25)26)21-17(23)15(11-12-4-2-5-13(20)10-12)22-18(24)16-6-3-8-27-16/h2-6,8,10-11,14H,7,9H2,1H3,(H,21,23)(H,22,24)(H,25,26)/t14-/m0/s1

InChI Key

JZODMCRADMBCOS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03826602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.069

Distribution Coefficient, logD

-1.298

Water Solubility, LogSw

-2.74

Polar Surface Area

83.465

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

3688-0208 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 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 3688-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3688-0208?
Check Price and Availability of 3688-0208, 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 3688-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3688-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3688-0208
  • 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 3688-0208 available by request