F694-0789 Screening compound: N-(3-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)benzamide

F694-0789 Screening compound: N-(3-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)benzamide
F694-0789 Screening compound: N-(3-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-0789
N-(3-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)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

F694-0789

Molecular Formula

C24H22BrFN4O2 (C24 H22 BrFN4 O2)

Compound Name

N-(3-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)benzamide

IUPAC name

N-(3-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)benzamide

SMILES

O=C(c1ccccc1)Nc(cc1)cc(NC(Nc(ccc(Br)c2)c2F)=O)c1N1CCCC1

InChI

InChI=1S/C24H22BrFN4O2/c25-17-8-10-20(19(26)14-17)28-24(32)29-21-15-18(9-11-22(21)30-12-4-5-13-30)27-23(31)16-6-2-1-3-7-16/h1-3,6-11,14-15H,4-5,12-13H2,(H,27,31)(H2,28,29,32)

InChI Key

SDSALDXSMLPYEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.780

Distribution Coefficient, logD

5.778

Water Solubility, LogSw

-5.86

Polar Surface Area

57.755

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F694-0789 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Targeted Diversity Library (40567 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F694-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-0789?
Check Price and Availability of F694-0789, 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 F694-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-0789
  • 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 F694-0789 available by request