D380-0197 Screening compound: N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

D380-0197 Screening compound: N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
D380-0197 Screening compound: N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D380-0197
N-[2-(2-chlorophenyl)-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

D380-0197

Molecular Formula

C26H21ClN2O2 (C26 H21 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(NCC(c2c[nH]c3c2cccc3)c(cccc2)c2Cl)=O)oc2c1cccc2

InChI

InChI=1S/C26H21ClN2O2/c1-16-17-8-4-7-13-24(17)31-25(16)26(30)29-15-20(18-9-2-5-11-22(18)27)21-14-28-23-12-6-3-10-19(21)23/h2-14,20,28H,15H2,1H3,(H,29,30)/t20-/m1/s1

InChI Key

IQXJUASVLCNHFW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD12918777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

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

6.441

Distribution Coefficient, logD

6.441

Water Solubility, LogSw

-6.16

Polar Surface Area

42.777

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

D380-0197 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D380-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D380-0197?
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What is the minimum amount of D380-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D380-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D380-0197
  • 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 D380-0197 available by request