1959-0035 Screening compound: N-[(4-bromophenyl)methyl]-4-fluoro-N-(4-methylphenyl)benzamide

1959-0035 Screening compound: N-[(4-bromophenyl)methyl]-4-fluoro-N-(4-methylphenyl)benzamide
1959-0035 Screening compound: N-[(4-bromophenyl)methyl]-4-fluoro-N-(4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1959-0035
N-[(4-bromophenyl)methyl]-4-fluoro-N-(4-methylphenyl)benzamide

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

1959-0035

Molecular Formula

C21H17BrFNO (C21 H17 BrFNO)

Compound Name

N-[(4-bromophenyl)methyl]-4-fluoro-N-(4-methylphenyl)benzamide

IUPAC name

N-[(4-bromophenyl)methyl]-4-fluoro-N-(4-methylphenyl)benzamide

SMILES

Cc(cc1)ccc1N(Cc(cc1)ccc1Br)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C21H17BrFNO/c1-15-2-12-20(13-3-15)24(14-16-4-8-18(22)9-5-16)21(25)17-6-10-19(23)11-7-17/h2-13H,14H2,1H3

InChI Key

HMGKFXJZTYYXLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01332359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.992

Distribution Coefficient, logD

5.992

Water Solubility, LogSw

-5.54

Polar Surface Area

15.589

Acid Dissociation Constant (pKa)

26.29

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

1959-0035 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1959-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1959-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1959-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1959-0035
  • 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 1959-0035 available by request