2733-3811 Screening compound: (2Z)-N-(2-bromo-4-methylphenyl)-2-acetamido-3-(4-nitrophenyl)prop-2-enamide

2733-3811 Screening compound: (2Z)-N-(2-bromo-4-methylphenyl)-2-acetamido-3-(4-nitrophenyl)prop-2-enamide
2733-3811 Screening compound: (2Z)-N-(2-bromo-4-methylphenyl)-2-acetamido-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2733-3811
(2Z)-N-(2-bromo-4-methylphenyl)-2-acetamido-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

2733-3811

Molecular Formula

C18H16BrN3O4 (C18 H16 BrN3 O4)

Compound Name

(2Z)-N-(2-bromo-4-methylphenyl)-2-acetamido-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-N-(2-bromo-4-methylphenyl)-2-acetamido-3-(4-nitrophenyl)prop-2-enamide

SMILES

CC(N/C(/C(Nc(ccc(C)c1)c1Br)=O)=C\c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C18H16BrN3O4/c1-11-3-8-16(15(19)9-11)21-18(24)17(20-12(2)23)10-13-4-6-14(7-5-13)22(25)26/h3-10H,1-2H3,(H,20,23)(H,21,24)

InChI Key

LOQYQRRGNNKGJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

3.541

Water Solubility, LogSw

-3.73

Polar Surface Area

78.109

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2733-3811 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 2733-3811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2733-3811?
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What is the minimum amount of 2733-3811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2733-3811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2733-3811
  • 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 2733-3811 available by request