2681-3493 Screening compound: (2Z)-N-(4-bromo-3-methylphenyl)-2-[(2-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide

2681-3493 Screening compound: (2Z)-N-(4-bromo-3-methylphenyl)-2-[(2-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide
2681-3493 Screening compound: (2Z)-N-(4-bromo-3-methylphenyl)-2-[(2-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3493
(2Z)-N-(4-bromo-3-methylphenyl)-2-[(2-methoxyphenyl)formamido]-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

2681-3493

Molecular Formula

C24H20BrN3O5 (C24 H20 BrN3 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)NC(/C(/NC(c(cccc2)c2OC)=O)=C/c(cc2)ccc2[N+]([O-])=O)=O)c1Br

InChI

InChI=1S/C24H20BrN3O5/c1-15-13-17(9-12-20(15)25)26-24(30)21(14-16-7-10-18(11-8-16)28(31)32)27-23(29)19-5-3-4-6-22(19)33-2/h3-14H,1-2H3,(H,26,30)(H,27,29)

InChI Key

ORTMGYFWHHVFBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.34

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

5.200

Distribution Coefficient, logD

4.375

Water Solubility, LogSw

-5.08

Polar Surface Area

86.266

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2681-3493 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 2681-3493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3493?
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What is the minimum amount of 2681-3493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3493
  • 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 2681-3493 available by request