F694-1576 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-4-fluorobenzamide

F694-1576 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-4-fluorobenzamide
F694-1576 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-1576
N-(3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-4-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

F694-1576

Molecular Formula

C25H23FN4O4 (C25 H23 FN4 O4)

Compound Name

N-(3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-4-fluorobenzamide

IUPAC name

N-(3-{[(2H-13-benzodioxol-5-yl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-4-fluorobenzamide

SMILES

O=C(c(cc1)ccc1F)Nc(cc1)cc(NC(Nc(cc2)cc3c2OCO3)=O)c1N1CCCC1

InChI

InChI=1S/C25H23FN4O4/c26-17-5-3-16(4-6-17)24(31)27-18-7-9-21(30-11-1-2-12-30)20(13-18)29-25(32)28-19-8-10-22-23(14-19)34-15-33-22/h3-10,13-14H,1-2,11-12,15H2,(H,27,31)(H2,28,29,32)

InChI Key

PCWWNDUQNPRYSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.063

Water Solubility, LogSw

-5.03

Polar Surface Area

75.568

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F694-1576 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F694-1576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-1576?
Check Price and Availability of F694-1576, 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 F694-1576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-1576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-1576
  • 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 F694-1576 available by request