P768-0250 Screening compound: 1-[2-(pyrrolidin-1-yl)ethyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxamide

P768-0250 Screening compound: 1-[2-(pyrrolidin-1-yl)ethyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxamide
P768-0250 Screening compound: 1-[2-(pyrrolidin-1-yl)ethyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P768-0250
1-[2-(pyrrolidin-1-yl)ethyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-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

P768-0250

Molecular Formula

C22H23F3N4O (C22 H23 F3 N4 O)

Compound Name

1-[2-(pyrrolidin-1-yl)ethyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

1-[2-(pyrrolidin-1-yl)ethyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-13-benzodiazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(CCN1CCCC1)cn2)NCc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C22H23F3N4O/c23-22(24,25)18-5-3-4-16(12-18)14-26-21(30)17-6-7-20-19(13-17)27-15-29(20)11-10-28-8-1-2-9-28/h3-7,12-13,15H,1-2,8-11,14H2,(H,26,30)

InChI Key

ZZPLDSBHXKNCLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.081

Distribution Coefficient, logD

2.060

Water Solubility, LogSw

-3.32

Polar Surface Area

39.163

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P768-0250 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with P768-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P768-0250?
Check Price and Availability of P768-0250, 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 P768-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P768-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P768-0250
  • 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 P768-0250 available by request