P088-1296 Screening compound: N-(4-fluorophenyl)-N-(2-thienylmethyl)-1,4-indolinedicarboxamide

P088-1296 Screening compound: N-(4-fluorophenyl)-N-(2-thienylmethyl)-1,4-indolinedicarboxamide
P088-1296 Screening compound: N-(4-fluorophenyl)-N-(2-thienylmethyl)-1,4-indolinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P088-1296
N-(4-fluorophenyl)-N-(2-thienylmethyl)-1,4-indolinedicarboxamide

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

P088-1296

Molecular Formula

C21H18FN3O2S (C21 H18 FN3 O2 S)

Compound Name

N-(4-fluorophenyl)-N-(2-thienylmethyl)-1,4-indolinedicarboxamide

IUPAC name

N1-(4-fluorophenyl)-N4-[(thiophen-2-yl)methyl]-23-dihydro-1H-indole-14-dicarboxamide

SMILES

O=C(c1c(CCN2C(Nc(cc3)ccc3F)=O)c2ccc1)NCc1cccs1

InChI

InChI=1S/C21H18FN3O2S/c22-14-6-8-15(9-7-14)24-21(27)25-11-10-17-18(4-1-5-19(17)25)20(26)23-13-16-3-2-12-28-16/h1-9,12H,10-11,13H2,(H,23,26)(H,24,27)

InChI Key

PQYHGMUBCFXSMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.40

Polar Surface Area

50.170

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

P088-1296 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 P088-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P088-1296?
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What is the minimum amount of P088-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P088-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P088-1296
  • 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 P088-1296 available by request