G500-0149 Screening compound: 2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(pyrrolidin-1-yl)ethyl}-6-fluorobenzamide

G500-0149 Screening compound: 2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(pyrrolidin-1-yl)ethyl}-6-fluorobenzamide
G500-0149 Screening compound: 2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(pyrrolidin-1-yl)ethyl}-6-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G500-0149
2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(pyrrolidin-1-yl)ethyl}-6-fluorobenzamide

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

G500-0149

Molecular Formula

C21H25ClFN3O (C21 H25 ClFN3 O)

Compound Name

2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(pyrrolidin-1-yl)ethyl}-6-fluorobenzamide

IUPAC name

2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(pyrrolidin-1-yl)ethyl}-6-fluorobenzamide

SMILES

CN(C)c1ccc(C(CNC(c(c(F)ccc2)c2Cl)=O)N2CCCC2)cc1

InChI

InChI=1S/C21H25ClFN3O/c1-25(2)16-10-8-15(9-11-16)19(26-12-3-4-13-26)14-24-21(27)20-17(22)6-5-7-18(20)23/h5-11,19H,3-4,12-14H2,1-2H3,(H,24,27)/t19-/m0/s1

InChI Key

JPWVLVHRHASHAI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08004961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.504

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-4.46

Polar Surface Area

30.812

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G500-0149 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases

References: we are preparing a list of scientific research reports with G500-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G500-0149?
Check Price and Availability of G500-0149, 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 G500-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G500-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G500-0149
  • 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 G500-0149 available by request