P087-1045 Screening compound: 1-benzoyl-N-(2-chlorobenzyl)-4-indolinecarboxamide

P087-1045 Screening compound: 1-benzoyl-N-(2-chlorobenzyl)-4-indolinecarboxamide
P087-1045 Screening compound: 1-benzoyl-N-(2-chlorobenzyl)-4-indolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P087-1045
1-benzoyl-N-(2-chlorobenzyl)-4-indolinecarboxamide

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

P087-1045

Molecular Formula

C23H19ClN2O2 (C23 H19 ClN2 O2)

Compound Name

1-benzoyl-N-(2-chlorobenzyl)-4-indolinecarboxamide

IUPAC name

1-benzoyl-N-[(2-chlorophenyl)methyl]-23-dihydro-1H-indole-4-carboxamide

SMILES

O=C(c1c(CCN2C(c3ccccc3)=O)c2ccc1)NCc(cccc1)c1Cl

InChI

InChI=1S/C23H19ClN2O2/c24-20-11-5-4-9-17(20)15-25-22(27)19-10-6-12-21-18(19)13-14-26(21)23(28)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,25,27)

InChI Key

BOAFXTCSAYHFEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.87

Polar Surface Area

40.331

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

P087-1045 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P087-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P087-1045?
Check Price and Availability of P087-1045, 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 P087-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P087-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P087-1045
  • 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 P087-1045 available by request