3379-2246 Screening compound: 3-[(2E)-2-[(4-bromophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoic acid

3379-2246 Screening compound: 3-[(2E)-2-[(4-bromophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoic acid
3379-2246 Screening compound: 3-[(2E)-2-[(4-bromophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2246
3-[(2E)-2-[(4-bromophenyl)formamido]-3-(3-nitrophenyl)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

3379-2246

Molecular Formula

C23H16BrN3O6 (C23 H16 BrN3 O6)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(/C=C(\C(Nc2cc(C(O)=O)ccc2)=O)/NC(c(cc2)ccc2Br)=O)c1)=O

InChI

InChI=1S/C23H16BrN3O6/c24-17-9-7-15(8-10-17)21(28)26-20(12-14-3-1-6-19(11-14)27(32)33)22(29)25-18-5-2-4-16(13-18)23(30)31/h1-13H,(H,25,29)(H,26,28)(H,30,31)

InChI Key

WYJPNNKJALLPIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02634936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

2.156

Water Solubility, LogSw

-4.74

Polar Surface Area

107.044

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3379-2246 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3379-2246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2246?
Check Price and Availability of 3379-2246, 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 3379-2246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2246
  • 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 3379-2246 available by request