D380-0302 Screening compound: N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

D380-0302 Screening compound: N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
D380-0302 Screening compound: N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D380-0302
N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

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

D380-0302

Molecular Formula

C26H21BrN2O2 (C26 H21 BrN2 O2)

Compound Name

N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c2c[nH]c3c2cccc3)c(cc2)ccc2Br)=O)oc2c1cccc2

InChI

InChI=1S/C26H21BrN2O2/c1-16-19-6-3-5-9-24(19)31-25(16)26(30)29-14-21(17-10-12-18(27)13-11-17)22-15-28-23-8-4-2-7-20(22)23/h2-13,15,21,28H,14H2,1H3,(H,29,30)/t21-/m1/s1

InChI Key

PCXAVFHVKXLPFB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD12918672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.663

Distribution Coefficient, logD

6.663

Water Solubility, LogSw

-6.02

Polar Surface Area

42.777

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

D380-0302 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D380-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D380-0302?
Check Price and Availability of D380-0302, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D380-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D380-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D380-0302
  • 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 D380-0302 available by request