8003-0581 Screening compound: (2E)-3-(4-bromophenyl)-N-{4-[(1E)-2-phenyldiazen-1-yl]phenyl}prop-2-enamide

8003-0581 Screening compound: (2E)-3-(4-bromophenyl)-N-{4-[(1E)-2-phenyldiazen-1-yl]phenyl}prop-2-enamide
8003-0581 Screening compound: (2E)-3-(4-bromophenyl)-N-{4-[(1E)-2-phenyldiazen-1-yl]phenyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0581
(2E)-3-(4-bromophenyl)-N-{4-[(1E)-2-phenyldiazen-1-yl]phenyl}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

8003-0581

Molecular Formula

C21H16BrN3O (C21 H16 BrN3 O)

Compound Name

(2E)-3-(4-bromophenyl)-N-{4-[(1E)-2-phenyldiazen-1-yl]phenyl}prop-2-enamide

IUPAC name

(2E)-3-(4-bromophenyl)-N-{4-[(1E)-2-phenyldiazen-1-yl]phenyl}prop-2-enamide

SMILES

O=C(/C=C/c(cc1)ccc1Br)Nc(cc1)ccc1/N=N/c1ccccc1

InChI

InChI=1S/C21H16BrN3O/c22-17-9-6-16(7-10-17)8-15-21(26)23-18-11-13-20(14-12-18)25-24-19-4-2-1-3-5-19/h1-15H,(H,23,26)

InChI Key

AECOOYRQLMRJIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00470461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.520

Distribution Coefficient, logD

6.520

Water Solubility, LogSw

-6.11

Polar Surface Area

44.803

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-0581 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 8003-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0581?
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What is the minimum amount of 8003-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0581
  • 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 8003-0581 available by request