P088-1180 Screening compound: N4-tert-butyl-N1-(4-fluorophenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide

P088-1180 Screening compound: N4-tert-butyl-N1-(4-fluorophenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide
P088-1180 Screening compound: N4-tert-butyl-N1-(4-fluorophenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P088-1180
N4-tert-butyl-N1-(4-fluorophenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide

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

P088-1180

Molecular Formula

C20H22FN3O2 (C20 H22 FN3 O2)

Compound Name

N4-tert-butyl-N1-(4-fluorophenyl)-2,3-dihydro-1H-indole-1,4-dicarboxamide

IUPAC name

N4-tert-butyl-N1-(4-fluorophenyl)-23-dihydro-1H-indole-14-dicarboxamide

SMILES

CC(C)(C)NC(c1cccc2c1CCN2C(Nc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C20H22FN3O2/c1-20(2,3)23-18(25)16-5-4-6-17-15(16)11-12-24(17)19(26)22-14-9-7-13(21)8-10-14/h4-10H,11-12H2,1-3H3,(H,22,26)(H,23,25)

InChI Key

SZKINKWZTQUISE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.15

Polar Surface Area

48.247

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P088-1180 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P088-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P088-1180?
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What is the minimum amount of P088-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P088-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P088-1180
  • 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 P088-1180 available by request