2681-3625 Screening compound: (2Z)-2-[(5-bromo-2-methoxyphenyl)formamido]-N-(3-chloro-2-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide

2681-3625 Screening compound: (2Z)-2-[(5-bromo-2-methoxyphenyl)formamido]-N-(3-chloro-2-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
2681-3625 Screening compound: (2Z)-2-[(5-bromo-2-methoxyphenyl)formamido]-N-(3-chloro-2-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3625
(2Z)-2-[(5-bromo-2-methoxyphenyl)formamido]-N-(3-chloro-2-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide

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

2681-3625

Molecular Formula

C24H19BrClN3O5 (C24 H19 BrClN3 O5)

Compound Name

(2Z)-2-[(5-bromo-2-methoxyphenyl)formamido]-N-(3-chloro-2-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-2-[(5-bromo-2-methoxyphenyl)formamido]-N-(3-chloro-2-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide

SMILES

Cc(c(Cl)ccc1)c1NC(/C(/NC(c(cc(cc1)Br)c1OC)=O)=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C24H19BrClN3O5/c1-14-19(26)4-3-5-20(14)27-24(31)21(12-15-6-9-17(10-7-15)29(32)33)28-23(30)18-13-16(25)8-11-22(18)34-2/h3-13H,1-2H3,(H,27,31)(H,28,30)

InChI Key

APPMUUSUBMOAHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.067

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-6.14

Polar Surface Area

85.568

Acid Dissociation Constant (pKa)

6.47

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2681-3625 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2681-3625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3625?
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What is the minimum amount of 2681-3625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3625
  • 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 2681-3625 available by request