F694-0825 Screening compound: N-[3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)phenyl]benzamide

F694-0825 Screening compound: N-[3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)phenyl]benzamide
F694-0825 Screening compound: N-[3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-0825
N-[3-({[3-(methylsulfanyl)phenyl]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

F694-0825

Molecular Formula

C25H26N4O2S (C25 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CSc1cc(NC(Nc(cc(cc2)NC(c3ccccc3)=O)c2N2CCCC2)=O)ccc1

InChI

InChI=1S/C25H26N4O2S/c1-32-21-11-7-10-19(16-21)27-25(31)28-22-17-20(12-13-23(22)29-14-5-6-15-29)26-24(30)18-8-3-2-4-9-18/h2-4,7-13,16-17H,5-6,14-15H2,1H3,(H,26,30)(H2,27,28,31)

InChI Key

NGXCXGNNILLTRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.559

Distribution Coefficient, logD

5.558

Water Solubility, LogSw

-5.40

Polar Surface Area

58.452

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F694-0825 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F694-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-0825?
Check Price and Availability of F694-0825, 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 F694-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-0825
  • 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 F694-0825 available by request