8013-1307 Screening compound: N-[4-(cyanomethyl)phenyl]-2-(2,4-difluorophenoxy)acetamide

8013-1307 Screening compound: N-[4-(cyanomethyl)phenyl]-2-(2,4-difluorophenoxy)acetamide
8013-1307 Screening compound: N-[4-(cyanomethyl)phenyl]-2-(2,4-difluorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1307
N-[4-(cyanomethyl)phenyl]-2-(2,4-difluorophenoxy)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

8013-1307

Molecular Formula

C16H12F2N2O2 (C16 H12 F2 N2 O2)

Compound Name

N-[4-(cyanomethyl)phenyl]-2-(2,4-difluorophenoxy)acetamide

IUPAC name

N-[4-(cyanomethyl)phenyl]-2-(24-difluorophenoxy)acetamide

SMILES

N#CCc(cc1)ccc1NC(COc(ccc(F)c1)c1F)=O

InChI

InChI=1S/C16H12F2N2O2/c17-12-3-6-15(14(18)9-12)22-10-16(21)20-13-4-1-11(2-5-13)7-8-19/h1-6,9H,7,10H2,(H,20,21)

InChI Key

CYHVIZLLFKXTCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.13

Polar Surface Area

48.194

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-1307 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-1307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1307?
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What is the minimum amount of 8013-1307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1307
  • 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 8013-1307 available by request