P094-0544 Screening compound: 1-(benzenesulfonyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide

P094-0544 Screening compound: 1-(benzenesulfonyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide
P094-0544 Screening compound: 1-(benzenesulfonyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P094-0544
1-(benzenesulfonyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide

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

P094-0544

Molecular Formula

C22H18ClFN2O3S (C22 H18 ClFN2 O3 S)

Compound Name

1-(benzenesulfonyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide

IUPAC name

1-(benzenesulfonyl)-N-[(3-chloro-4-fluorophenyl)methyl]-23-dihydro-1H-indole-6-carboxamide

SMILES

O=C(c1cc(N(CC2)S(c3ccccc3)(=O)=O)c2cc1)NCc(cc1)cc(Cl)c1F

InChI

InChI=1S/C22H18ClFN2O3S/c23-19-12-15(6-9-20(19)24)14-25-22(27)17-8-7-16-10-11-26(21(16)13-17)30(28,29)18-4-2-1-3-5-18/h1-9,12-13H,10-11,14H2,(H,25,27)

InChI Key

FPJLVVOOJLBYAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

4.024

Water Solubility, LogSw

-4.53

Polar Surface Area

56.170

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P094-0544 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P094-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P094-0544?
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What is the minimum amount of P094-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P094-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P094-0544
  • 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 P094-0544 available by request