D380-0094 Screening compound: N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

D380-0094 Screening compound: N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
D380-0094 Screening compound: N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D380-0094
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,5,6-trimethyl-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

D380-0094

Molecular Formula

C28H26N2O2 (C28 H26 N2 O2)

Compound Name

N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(1H-indol-3-yl)-2-phenylethyl]-356-trimethyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c2c[nH]c3c2cccc3)c2ccccc2)=O)oc2c1cc(C)c(C)c2

InChI

InChI=1S/C28H26N2O2/c1-17-13-22-19(3)27(32-26(22)14-18(17)2)28(31)30-15-23(20-9-5-4-6-10-20)24-16-29-25-12-8-7-11-21(24)25/h4-14,16,23,29H,15H2,1-3H3,(H,30,31)/t23-/m1/s1

InChI Key

IUEIRYBRVJSDEK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD12921301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

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

6.667

Distribution Coefficient, logD

6.667

Water Solubility, LogSw

-5.89

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

17.90

D380-0094 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D380-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D380-0094?
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What is the minimum amount of D380-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D380-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D380-0094
  • 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 D380-0094 available by request