K781-2249 Screening compound: 3-[(4-tert-butylphenyl)formamido]-N-(2-methylpropyl)propanamide

K781-2249 Screening compound: 3-[(4-tert-butylphenyl)formamido]-N-(2-methylpropyl)propanamide
K781-2249 Screening compound: 3-[(4-tert-butylphenyl)formamido]-N-(2-methylpropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2249
3-[(4-tert-butylphenyl)formamido]-N-(2-methylpropyl)propanamide

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

K781-2249

Molecular Formula

C18H28N2O2 (C18 H28 N2 O2)

Compound Name

3-[(4-tert-butylphenyl)formamido]-N-(2-methylpropyl)propanamide

IUPAC name

3-[(4-tert-butylphenyl)formamido]-N-(2-methylpropyl)propanamide

SMILES

CC(C)CNC(CCNC(c1ccc(C(C)(C)C)cc1)=O)=O

InChI

InChI=1S/C18H28N2O2/c1-13(2)12-20-16(21)10-11-19-17(22)14-6-8-15(9-7-14)18(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,19,22)(H,20,21)

InChI Key

CCPXDXZMOBTZQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

3.064

Water Solubility, LogSw

-3.32

Polar Surface Area

49.236

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

K781-2249 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K781-2249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2249?
Check Price and Availability of K781-2249, 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 K781-2249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2249
  • 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 K781-2249 available by request