2681-3457 Screening compound: (2Z)-2-[(3-bromo-4-methoxyphenyl)formamido]-N-(2-bromo-4-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide

2681-3457 Screening compound: (2Z)-2-[(3-bromo-4-methoxyphenyl)formamido]-N-(2-bromo-4-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
2681-3457 Screening compound: (2Z)-2-[(3-bromo-4-methoxyphenyl)formamido]-N-(2-bromo-4-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3457
(2Z)-2-[(3-bromo-4-methoxyphenyl)formamido]-N-(2-bromo-4-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

2681-3457

Molecular Formula

C24H19Br2N3O5 (C24 H19 Br2 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H19Br2N3O5/c1-14-3-9-20(18(25)11-14)27-24(31)21(12-15-4-7-17(8-5-15)29(32)33)28-23(30)16-6-10-22(34-2)19(26)13-16/h3-13H,1-2H3,(H,27,31)(H,28,30)

InChI Key

JJWXPNWKABWDBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.24

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

5.819

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-5.54

Polar Surface Area

85.568

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2681-3457 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 2681-3457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3457?
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What is the minimum amount of 2681-3457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3457
  • 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 2681-3457 available by request