F694-0808 Screening compound: N-(3-{[(2,5-difluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)benzamide

F694-0808 Screening compound: N-(3-{[(2,5-difluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)benzamide
F694-0808 Screening compound: N-(3-{[(2,5-difluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-0808
N-(3-{[(2,5-difluorophenyl)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

F694-0808

Molecular Formula

C24H22F2N4O2 (C24 H22 F2 N4 O2)

Compound Name

N-(3-{[(2,5-difluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)benzamide

IUPAC name

N-(3-{[(25-difluorophenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)benzamide

SMILES

O=C(c1ccccc1)Nc(cc1)cc(NC(Nc(cc(cc2)F)c2F)=O)c1N1CCCC1

InChI

InChI=1S/C24H22F2N4O2/c25-17-8-10-19(26)20(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

HFHVJPINYKTJCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.46

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

5.267

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-5.47

Polar Surface Area

57.755

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F694-0808 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F694-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-0808?
Check Price and Availability of F694-0808, 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 F694-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-0808
  • 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 F694-0808 available by request