0855-0013 Screening compound: 2-cyano-2-phenylbutanamide

0855-0013 Screening compound: 2-cyano-2-phenylbutanamide
0855-0013 Screening compound: 2-cyano-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0855-0013
2-cyano-2-phenylbutanamide

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

0855-0013

Molecular Formula

C11H12N2O (C11 H12 N2 O)

Compound Name

2-cyano-2-phenylbutanamide

IUPAC name

2-cyano-2-phenylbutanamide

SMILES

CCC(C(N)=O)(c1ccccc1)C#N

InChI

InChI=1S/C11H12N2O/c1-2-11(8-12,10(13)14)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H2,13,14)/t11-/m1/s1

InChI Key

QKSRTQXCXWMMLG-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

188.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.330

Distribution Coefficient, logD

1.330

Water Solubility, LogSw

-1.81

Polar Surface Area

51.354

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

0855-0013 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0855-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0855-0013?
Check Price and Availability of 0855-0013, 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 0855-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0855-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0855-0013
  • 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 0855-0013 available by request