G545-0448 Screening compound: N-[(3-fluorophenyl)methyl]-3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)benzamide

G545-0448 Screening compound: N-[(3-fluorophenyl)methyl]-3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)benzamide
G545-0448 Screening compound: N-[(3-fluorophenyl)methyl]-3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-0448
N-[(3-fluorophenyl)methyl]-3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)benzamide

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

G545-0448

Molecular Formula

C26H27FN4O2S (C26 H27 FN4 O2 S)

Compound Name

N-[(3-fluorophenyl)methyl]-3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)benzamide

IUPAC name

N-[(3-fluorophenyl)methyl]-3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)benzamide

SMILES

CSc1cc(NC(Nc(cc(cc2)C(NCc3cc(F)ccc3)=O)c2N2CCCC2)=O)ccc1

InChI

InChI=1S/C26H27FN4O2S/c1-34-22-9-5-8-21(16-22)29-26(33)30-23-15-19(10-11-24(23)31-12-2-3-13-31)25(32)28-17-18-6-4-7-20(27)14-18/h4-11,14-16H,2-3,12-13,17H2,1H3,(H,28,32)(H2,29,30,33)

InChI Key

XJBLENZKTMQWFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.617

Distribution Coefficient, logD

5.616

Water Solubility, LogSw

-5.41

Polar Surface Area

59.774

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G545-0448 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G545-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-0448?
Check Price and Availability of G545-0448, 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 G545-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-0448
  • 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 G545-0448 available by request