P088-0485 Screening compound: N4-[(2,5-difluorophenyl)methyl]-N1-phenyl-2,3-dihydro-1H-indole-1,4-dicarboxamide

P088-0485 Screening compound: N4-[(2,5-difluorophenyl)methyl]-N1-phenyl-2,3-dihydro-1H-indole-1,4-dicarboxamide
P088-0485 Screening compound: N4-[(2,5-difluorophenyl)methyl]-N1-phenyl-2,3-dihydro-1H-indole-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P088-0485
N4-[(2,5-difluorophenyl)methyl]-N1-phenyl-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

P088-0485

Molecular Formula

C23H19F2N3O2 (C23 H19 F2 N3 O2)

Compound Name

N4-[(2,5-difluorophenyl)methyl]-N1-phenyl-2,3-dihydro-1H-indole-1,4-dicarboxamide

IUPAC name

N4-[(25-difluorophenyl)methyl]-N1-phenyl-23-dihydro-1H-indole-14-dicarboxamide

SMILES

O=C(c1c(CCN2C(Nc3ccccc3)=O)c2ccc1)NCc(cc(cc1)F)c1F

InChI

InChI=1S/C23H19F2N3O2/c24-16-9-10-20(25)15(13-16)14-26-22(29)19-7-4-8-21-18(19)11-12-28(21)23(30)27-17-5-2-1-3-6-17/h1-10,13H,11-12,14H2,(H,26,29)(H,27,30)

InChI Key

QYLLMVFZJMFCCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

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

4.763

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.66

Polar Surface Area

49.151

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

P088-0485 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 P088-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P088-0485?
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What is the minimum amount of P088-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P088-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P088-0485
  • 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 P088-0485 available by request