D178-0043 Screening compound: N'-(3-bromophenyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]ethanediamide

D178-0043 Screening compound: N'-(3-bromophenyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]ethanediamide
D178-0043 Screening compound: N'-(3-bromophenyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0043
N'-(3-bromophenyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]ethanediamide

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

D178-0043

Molecular Formula

C17H15BrN2O4 (C17 H15 BrN2 O4)

Compound Name

N'-(3-bromophenyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]ethanediamide

IUPAC name

N'-(3-bromophenyl)-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]ethanediamide

SMILES

O=C(C(Nc1cccc(Br)c1)=O)NCC1Oc(cccc2)c2OC1

InChI

InChI=1S/C17H15BrN2O4/c18-11-4-3-5-12(8-11)20-17(22)16(21)19-9-13-10-23-14-6-1-2-7-15(14)24-13/h1-8,13H,9-10H2,(H,19,21)(H,20,22)/t13-/m0/s1

InChI Key

PFAVFFUWJAPRPJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD07640120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.856

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-3.31

Polar Surface Area

63.694

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

D178-0043 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D178-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0043?
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What is the minimum amount of D178-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0043
  • 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 D178-0043 available by request