3379-2244 Screening compound: methyl 3-[(2E)-2-[(4-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

3379-2244 Screening compound: methyl 3-[(2E)-2-[(4-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate
3379-2244 Screening compound: methyl 3-[(2E)-2-[(4-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2244
methyl 3-[(2E)-2-[(4-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

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

3379-2244

Molecular Formula

C24H18BrN3O6 (C24 H18 BrN3 O6)

Compound Name

methyl 3-[(2E)-2-[(4-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

IUPAC name

methyl 3-[(2E)-2-[(4-bromophenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]benzoate

SMILES

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

InChI

InChI=1S/C24H18BrN3O6/c1-34-24(31)17-3-2-4-19(14-17)26-23(30)21(13-15-5-11-20(12-6-15)28(32)33)27-22(29)16-7-9-18(25)10-8-16/h2-14H,1H3,(H,26,30)(H,27,29)

InChI Key

YZQBGPDEHTWULJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

4.752

Water Solubility, LogSw

-5.54

Polar Surface Area

99.810

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3379-2244 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 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 3379-2244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2244?
Check Price and Availability of 3379-2244, 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 3379-2244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2244
  • 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 3379-2244 available by request