8003-8652 Screening compound: (2E)-3-(4-bromophenyl)-N-(naphthalen-1-yl)prop-2-enamide

8003-8652 Screening compound: (2E)-3-(4-bromophenyl)-N-(naphthalen-1-yl)prop-2-enamide
8003-8652 Screening compound: (2E)-3-(4-bromophenyl)-N-(naphthalen-1-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8652
(2E)-3-(4-bromophenyl)-N-(naphthalen-1-yl)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

8003-8652

Molecular Formula

C19H14BrNO (C19 H14 BrNO)

Compound Name

(2E)-3-(4-bromophenyl)-N-(naphthalen-1-yl)prop-2-enamide

IUPAC name

(2E)-3-(4-bromophenyl)-N-(naphthalen-1-yl)prop-2-enamide

SMILES

O=C(/C=C/c(cc1)ccc1Br)Nc1cccc2ccccc12

InChI

InChI=1S/C19H14BrNO/c20-16-11-8-14(9-12-16)10-13-19(22)21-18-7-3-5-15-4-1-2-6-17(15)18/h1-13H,(H,21,22)

InChI Key

FTUFJCJPQZVRTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00470414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.400

Distribution Coefficient, logD

5.400

Water Solubility, LogSw

-6.88

Polar Surface Area

22.147

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-8652 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

STING Agonist Library (5895 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8003-8652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8652?
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What is the minimum amount of 8003-8652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8652
  • 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 8003-8652 available by request