G545-0449 Screening compound: 3-{[(3-fluorophenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

G545-0449 Screening compound: 3-{[(3-fluorophenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide
G545-0449 Screening compound: 3-{[(3-fluorophenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-0449
3-{[(3-fluorophenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-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

G545-0449

Molecular Formula

C25H24F2N4O2 (C25 H24 F2 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC(Nc2cccc(F)c2)=O)c1N1CCCC1)NCc1cc(F)ccc1

InChI

InChI=1S/C25H24F2N4O2/c26-19-6-3-5-17(13-19)16-28-24(32)18-9-10-23(31-11-1-2-12-31)22(14-18)30-25(33)29-21-8-4-7-20(27)15-21/h3-10,13-15H,1-2,11-12,16H2,(H,28,32)(H2,29,30,33)

InChI Key

NQAGCHHBPKWGKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.309

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.66

Polar Surface Area

59.774

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G545-0449 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with G545-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-0449?
Check Price and Availability of G545-0449, 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 G545-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-0449
  • 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 G545-0449 available by request