3379-2234 Screening compound: 3-[(2E)-2-[(4-bromophenyl)formamido]-3-phenylprop-2-enamido]benzoic acid

3379-2234 Screening compound: 3-[(2E)-2-[(4-bromophenyl)formamido]-3-phenylprop-2-enamido]benzoic acid
3379-2234 Screening compound: 3-[(2E)-2-[(4-bromophenyl)formamido]-3-phenylprop-2-enamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2234
3-[(2E)-2-[(4-bromophenyl)formamido]-3-phenylprop-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

3379-2234

Molecular Formula

C23H17BrN2O4 (C23 H17 BrN2 O4)

Compound Name

3-[(2E)-2-[(4-bromophenyl)formamido]-3-phenylprop-2-enamido]benzoic acid

IUPAC name

3-[(2E)-2-[(4-bromophenyl)formamido]-3-phenylprop-2-enamido]benzoic acid

SMILES

OC(c1cccc(NC(/C(/NC(c(cc2)ccc2Br)=O)=C\c2ccccc2)=O)c1)=O

InChI

InChI=1S/C23H17BrN2O4/c24-18-11-9-16(10-12-18)21(27)26-20(13-15-5-2-1-3-6-15)22(28)25-19-8-4-7-17(14-19)23(29)30/h1-14H,(H,25,28)(H,26,27)(H,29,30)

InChI Key

XMTZYOWLXBONQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02635068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.237

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-5.20

Polar Surface Area

73.662

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3379-2234 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3379-2234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2234?
Check Price and Availability of 3379-2234, 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 3379-2234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2234
  • 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 3379-2234 available by request