P087-2276 Screening compound: 1-(cyclopropylcarbonyl)-N~4~-[4-(trifluoromethyl)benzyl]-4-indolinecarboxamide

P087-2276 Screening compound: 1-(cyclopropylcarbonyl)-N~4~-[4-(trifluoromethyl)benzyl]-4-indolinecarboxamide
P087-2276 Screening compound: 1-(cyclopropylcarbonyl)-N~4~-[4-(trifluoromethyl)benzyl]-4-indolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P087-2276
1-(cyclopropylcarbonyl)-N~4~-[4-(trifluoromethyl)benzyl]-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

P087-2276

Molecular Formula

C21H19F3N2O2 (C21 H19 F3 N2 O2)

Compound Name

1-(cyclopropylcarbonyl)-N~4~-[4-(trifluoromethyl)benzyl]-4-indolinecarboxamide

IUPAC name

1-cyclopropanecarbonyl-N-{[4-(trifluoromethyl)phenyl]methyl}-23-dihydro-1H-indole-4-carboxamide

SMILES

O=C(C1CC1)N1c2cccc(C(NCc3ccc(C(F)(F)F)cc3)=O)c2CC1

InChI

InChI=1S/C21H19F3N2O2/c22-21(23,24)15-8-4-13(5-9-15)12-25-19(27)17-2-1-3-18-16(17)10-11-26(18)20(28)14-6-7-14/h1-5,8-9,14H,6-7,10-12H2,(H,25,27)

InChI Key

YIEJKEZUNHFQKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.43

Polar Surface Area

40.854

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

P087-2276 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P087-2276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P087-2276?
Check Price and Availability of P087-2276, 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 P087-2276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P087-2276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P087-2276
  • 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 P087-2276 available by request