F313-0002 Screening compound: 2-[2-(4-cyanoanilino)-2-oxoethoxy]-N-(9-ethyl-9H-carbazol-3-yl)acetamide

F313-0002 Screening compound: 2-[2-(4-cyanoanilino)-2-oxoethoxy]-N-(9-ethyl-9H-carbazol-3-yl)acetamide
F313-0002 Screening compound: 2-[2-(4-cyanoanilino)-2-oxoethoxy]-N-(9-ethyl-9H-carbazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F313-0002
2-[2-(4-cyanoanilino)-2-oxoethoxy]-N-(9-ethyl-9H-carbazol-3-yl)acetamide

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

F313-0002

Molecular Formula

C25H22N4O3 (C25 H22 N4 O3)

Compound Name

2-[2-(4-cyanoanilino)-2-oxoethoxy]-N-(9-ethyl-9H-carbazol-3-yl)acetamide

IUPAC name

2-{[(4-cyanophenyl)carbamoyl]methoxy}-N-(9-ethyl-9H-carbazol-3-yl)acetamide

SMILES

CCn1c(ccc(NC(COCC(Nc(cc2)ccc2C#N)=O)=O)c2)c2c2c1cccc2

InChI

InChI=1S/C25H22N4O3/c1-2-29-22-6-4-3-5-20(22)21-13-19(11-12-23(21)29)28-25(31)16-32-15-24(30)27-18-9-7-17(14-26)8-10-18/h3-13H,2,15-16H2,1H3,(H,27,30)(H,28,31)

InChI Key

SIXVYMWIXDYBDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08678621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.358

Distribution Coefficient, logD

4.358

Water Solubility, LogSw

-4.36

Polar Surface Area

72.456

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

F313-0002 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F313-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F313-0002?
Check Price and Availability of F313-0002, 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 F313-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F313-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F313-0002
  • 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 F313-0002 available by request