2417-0091 Screening compound: 1-[(4-chlorophenyl)amino]-3-phenyl-2,3-dihydro-1H-indol-2-one

2417-0091 Screening compound: 1-[(4-chlorophenyl)amino]-3-phenyl-2,3-dihydro-1H-indol-2-one
2417-0091 Screening compound: 1-[(4-chlorophenyl)amino]-3-phenyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2417-0091
1-[(4-chlorophenyl)amino]-3-phenyl-2,3-dihydro-1H-indol-2-one

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

2417-0091

Molecular Formula

C20H15ClN2O (C20 H15 ClN2 O)

Compound Name

1-[(4-chlorophenyl)amino]-3-phenyl-2,3-dihydro-1H-indol-2-one

IUPAC name

1-[(4-chlorophenyl)amino]-3-phenyl-23-dihydro-1H-indol-2-one

SMILES

O=C(C(c1c2cccc1)c1ccccc1)N2Nc(cc1)ccc1Cl

InChI

InChI=1S/C20H15ClN2O/c21-15-10-12-16(13-11-15)22-23-18-9-5-4-8-17(18)19(20(23)24)14-6-2-1-3-7-14/h1-13,19,22H/t19-/m1/s1

InChI Key

RKYSHDDNTKSXQU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00585636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.8

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-5.27

Polar Surface Area

27.658

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.00

2417-0091 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 2417-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2417-0091?
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What is the minimum amount of 2417-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2417-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2417-0091
  • 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 2417-0091 available by request