4478-4891 Screening compound: N1,N4-bis(4-bromo-3-chlorophenyl)benzene-1,4-dicarboxamide

4478-4891 Screening compound: N1,N4-bis(4-bromo-3-chlorophenyl)benzene-1,4-dicarboxamide
4478-4891 Screening compound: N1,N4-bis(4-bromo-3-chlorophenyl)benzene-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-4891
N1,N4-bis(4-bromo-3-chlorophenyl)benzene-1,4-dicarboxamide

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

4478-4891

Molecular Formula

C20H12Br2Cl2N2O2 (C20 H12 Br2 Cl2 N2 O2)

Compound Name

N1,N4-bis(4-bromo-3-chlorophenyl)benzene-1,4-dicarboxamide

IUPAC name

N1N4-bis(4-bromo-3-chlorophenyl)benzene-14-dicarboxamide

SMILES

O=C(c(cc1)ccc1C(Nc(cc1)cc(Cl)c1Br)=O)Nc(cc1)cc(Cl)c1Br

InChI

InChI=1S/C20H12Br2Cl2N2O2/c21-15-7-5-13(9-17(15)23)25-19(27)11-1-2-12(4-3-11)20(28)26-14-6-8-16(22)18(24)10-14/h1-10H,(H,25,27)(H,26,28)

InChI Key

VSSBQABOGKSOGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01971347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.776

Distribution Coefficient, logD

6.476

Water Solubility, LogSw

-6.76

Polar Surface Area

46.421

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4478-4891 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4478-4891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-4891?
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What is the minimum amount of 4478-4891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-4891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-4891
  • 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 4478-4891 available by request